Publications

2024

Avijit Sahoo, Gourav Das, Atanu Ghosh, Siddharam Shivappa Bagale, Nishant Kumar Choudhary, S Harikrishna, Surajit Sinha and Kiran R Gore, N3-methyluridine and 2′-o-alkyl/2′-fluoro-n3-methyluridine functionalized nucleic acids improve nuclease resistance while maintaining duplex geometry, Bioorganic & Medicinal Chemistry 100, 117616, 2024 [html] [doi]
Gangopadhyay, Sumit, Das, Gourav, Gupta, Shalini, Ghosh, Atanu, Bagale, Siddharam Shivappa, Roy, Pritam Kumar, Mandal, Mahitosh, Harikrishna, S , Sinha, Surajit and Gore, Kiran R, 4′-c-acetamidomethyl-2′-o-methoxyethyl nucleic acid modifications improve thermal stability, nuclease resistance, potency, and hago2 binding of small interfering rnas, The Journal of Organic Chemistry 0, null, 2024 [html] [doi]
Pal, Ribhu (ঋভু পাল), Roy, Arnab (অর্ণব রায়), Sarkar, Shreyashri (শ্রেয়শ্রী সরকার), Ghoshal, Pratip (প্রতীপ ঘোষাল) and Halder, Pabitra (পবিত্র হালদার), Numerical study of turbulent kinetic energy amplification during shock-wave diffraction, Physics of Fluids 36, 011706, 2024 [html] [doi]
Sarkar, Nandan and Roy, Somnath, Periodic flow features in a planar sudden expansion with pulsatile inflow velocity, Journal of Fluid Mechanics 980, A43, 2024 [html] [doi]
Pijush Karak, Torsha Moitra and Swapan Chakrabarti, Relativistic effects on photodynamical processes, Elsevier, 258-279, 2024 [html] [doi]
Sharma, Abhishek, Singh, Gaurav, Lakkaraju, Rajaram and Atta, Arnab, Hydrodynamics of particle-free and particle-laden laminar flows in sharply bent channels, Physics of Fluids 36, 011705, 2024 [html] [doi]
Roshan Kumar Jha, Ranjeet Kumar, Amlan Dutta and Sumantra Mandal, Implication of site-specific segregation on grain boundary structural transition and deformation response in nanocrystalline ni-nb alloy, Computational Materials Science 233, 112766, 2024 [html] [doi]
Gupta, Deepa, Saha, Probir and Roy, Somnath, Multi-objective optimization of air-cooled perforated micro-pin fin heat sink via an artificial neural network surrogate model coupled with nsga-ii, Journal of Thermal Science and Engineering Applications 16, 2024 [html] [doi]
Shakilur Rahman, Saradindu Saha, Somdeb Bose Dasgupta and Amit Kumar Das, Putative staphylococcal enterotoxin possesses two common structural motifs for mhc-ii binding, International Journal of Biological Macromolecules 256, 128437, 2024 [html] [doi]

2023

Karak, Pijush, Moitra, Torsha, Ruud, Kenneth and Chakrabarti, Swapan, Photophysics of uracil: an explicit time-dependent generating function-based method combining both nonadiabatic and spin–orbit coupling effects, Phys. Chem. Chem. Phys. 25, 8209-8219, 2023 [html] [doi]
Pandey, Vikash, Mitra, Dhrubaditya and Perlekar, Prasad, Kolmogorov turbulence coexists with pseudo-turbulence in buoyancy-driven bubbly flows, Phys. Rev. Lett. 131, 114002, 2023 [html] [doi]
Majumder, Rabindranath, Karmakar, Soumyajit, Mishra, Sabyashachi, Mallick, Amitava Basu and Das Mukhopadhyay, Chitrangada, Functionalized carbon nano-onions as a smart drug delivery system for the poorly soluble drug carmustine for the management of glioblastoma, ACS Applied Bio Materials 0, null, 0 [html] [doi]
Satyajit Khatua and Srabani Taraphder, Dynamics of an inhibitor at and away from an out-of-active site binding location in human carbonic anhydrase ii, Chemical Physics Impact 7, 100329, 2023 [html] [doi]
Khatua, Satyajit, De Bhowmik, Tanusri and Taraphder, Srabani, A case study on the use of binding free energies to screen inhibitors of human carbonic anhydrase ii, ChemPhysChem 24, e202200770, 2023 [html] [doi]
Shaik, Md Abdus Salam, Samanta, Dipanjan, Sharma, Ankit Kumar, Shaw, Manisha, Prodhan, Sayan, Basu, Rajarshi, Mondal, Imran, Singh, Shailab, Dutta, Prasanta Kumar and Pathak, Amita, White light emission from helically stacked humin-mimic based h-aggregates in heteroatom free carbon dots, Nanoscale, 2023 [html] [doi]
Basak, Arindam, Lakkaraju, Rajaram and Raja Sekhar, G P, Thermocapillary dynamics of a surfactant-laden droplet with internal thermal singularity, Journal of Fluid Mechanics 973, A24, 2023 [html] [doi]
Kar, Prabir Kumar, Chetan, Ujjwal, Kumar, Abhishek, Das, P K and Lakkaraju, Rajaram, Heat transport enhancement and flow transitions in partitioned thermal convection, Phys. Rev. Fluids 8, 043501, 2023 [html] [doi]
Raj, Apurva and Roy, Somnath, Lift characteristics of an airfoil at low reynolds numbers for newtonian and shear-thinning carreau fluids, Physics of Fluids 35, 2023 [html] [doi]
Mohanty, Saransha, Gao, Weibo and Deb, Pritam, Augmented and quenched local moments in a van der waals itinerant moir\'e ferromagnet, Phys. Rev. B 108, 054433, 2023 [html] [doi]
Bora, M, Mohanty, S, Singh, AK, Gao, Weibo and Deb, P, Adaptive half-metallicity via magnetic proximity in an electrically sensitive 1t’-wte2/crbr3 vdw heterostructure, Applied Surface Science 623, 157019, 2023 [html] [doi]
Singh, Anil Kumar, Gao, Weibo and Deb, Pritam, Tunable long-range spin transport in a van der waals fe 3 gete 2/wse 2/fe 3 gete 2 spin valve, Physical Chemistry Chemical Physics, 2023 [html] [doi]
Sk, Md Raja, Bhattacharyya, Arya, Saha, Shuvendu, Brahma, Arpita and Maji, Modhu Sudan, Annulative π-extension by rhodium(iii)-catalyzed ketone-directed c−h activation: rapid access to pyrenes and related polycyclic aromatic hydrocarbons (pahs), Angewandte Chemie International Edition 62, e202305258, 2023 [html] [doi]
Mondal, Haripriyo, Patra, Subimal, Saha, Shuvendu, Nayak, Tarak, Sengupta, Uddalak and Sudan Maji, Modhu, Late-stage halogenation of peptides, drugs and (hetero)aromatic compounds with a nucleophilic hydrazide catalyst, Angewandte Chemie International Edition 62, e202312597, 2023 [html] [doi]
Bhattacharyya, Arya, Sk, Md Raja, Sen, Supreeta, Kundu, Samrat and Maji, Modhu Sudan, Annulative π-extension by cp*co(iii)-catalyzed ketone-directed peri-annulation: an approach to access fused arenes, Organic Letters 25, 8622-8627, 2023 [html] [doi]
Saha, Subhajit, Khamrui, Sudipta, Moi, Rajib, Anoop, Anakuthil, Chernyshev, Vladimir V , Banerjee, Debamalya and Biradha, Kumar, Photochromism and photomagnetism in 1,4-bis(4,5-diphenyl-imidazolyl)benzene chromophores: water-assisted π-stacks for the generation of stable free radicals in the solid state, ACS Applied Optical Materials 0, null, 2023 [html] [doi]
Rituparna Saha, Gourab Bhattacharje, Soumya De and Amit Kumar Das, Deciphering the conformational stability of maze7 antitoxin in mycobacterium tuberculosis from molecular dynamics simulation study, Journal of Biomolecular Structure and Dynamics 0, 1-17, 2023 [html] [doi]
Kumar, Debajyoti and Roy, Somnath, Simulation of flow over a fixed and oscillating circular cylinder with different surface roughness patterns using a multi-block-multi-mesh framework immersed boundary method, Physics of Fluids 35, 2023 [html] [doi]
Subrata Kumar Padhan, Sunita Muduli, Narayan Murmu, Gokarneswar Sahoo, Sabyashachi Mishra and Satya Narayan Sahu, A coumarin-salicylidene based fluorescent chemodosimeter for sub-ppb level detection of aluminium ion via metal ion induced hydrolytic cleavage of aldimine bond, Journal of Molecular Liquids 384, 122292, 2023 [html] [doi]
Pati, Subir K , Patra, Dhananjaya, Muduli, Sunita, Mishra, Sabyashachi and Park, Sungjune, Energy storage application of conducting polymers featuring dual acceptors: exploring conjugation and flexible chain length effects, Small 19, 2300689, 2023 [html] [doi]
Muduli, Sunita and Mishra, Sabyashachi, Ligands-induced open-close conformational change during dape catalysis: insights from molecular dynamics simulations, Proteins: Structure, Function, and Bioinformatics 91, 2023 [html] [doi]
Patra, Dhananjaya, Zhan, Xin, Linthoinganbi, Rajkumari, Muduli, Sunita, Mishra, Sabyashachi, Liu, Yao and Park, Sungjune, Synthesis and application of dual electron-deficient featured copolymers and their sequential fluorination for ambipolar organic thin film transistors, J. Mater. Chem. C 11, 1457-1463, 2023 [html] [doi]
Ghosh, Meghna, Parida, Sanjukta, Khatoon, Huma, Bera, Nanigopal, Mishra, Sabyashachi and Sarkar, Nilmoni, Excited state photophysics of curcumin and its modulation in alkaline non-aqueous medium, ChemPhysChem 24, e202300174, 2023 [html] [doi]
Battula, Himabindu, Nath, Moromi, Mishra, Sabyashachi and Jayanty, Subbalakshmi, Spirocyclic rhodamine b benzoisothiazole derivative: a multi-stimuli fluorescent switch manifesting ethanol-responsiveness, photo responsiveness, and acidochromism, RSC advances 13, 2023 [html] [doi]
Dakua, Kishan Kumar, Rajak, Karunamoy and Mishra, Sabyashachi, The interplay of vibronic and spin--orbit coupling in the fluorescence quenching in trans-dithionated pdi, J. Chem. Phys.,volume={159, 2023 [html] [doi]
Dey, Saumava, Dhar, Anirban, Applicability of zero-inertia approximation for overland flow using a generalized mass-conservative implicit finite volume framework, Journal Hydrologic Engineering 29, 2023 [html] [doi]
Pradhan, Swagatika, Thaker, Parth and Ghosh, Somnath, Analysis of the dominant structures of an impinging round jet at m=0.9, AIAA Journal 0, 2023 [html] [doi]
Shakilur Rahman and Amit Kumar Das, Staphylococcal superantigen-like protein 10 enhances the amyloidogenic biofilm formation in staphylococcus aureus, BMC Microbiology 23, 390, 2023 [html] [doi]
Shakilur Rahman, Kasturi Sarkar and Amit Kumar Das, Exploring staphylococcal superantigens to design a potential multi-epitope vaccine against staphylococcus aureus: an in-silico reverse vaccinology approach, Journal of Biomolecular Structure and Dynamics 41, 13098-13112, 2023 [html] [doi]
Kumar, Ch Narendra and Sinhamahapatra, KP, Numerical study on mixing characteristics of symmetrical and asymmetrical twin jets, Journal of Mechanical Science and Technology, 1-11, 2023 [html] [doi]
N Sunanda, J Kuttippurath, A Chakraborty and R Peter, Stressors of primary productivity in the north indian ocean revealed by satellite, reanalysis and cmip6 data, Progress in Oceanography 219, 103164, 2023 [html] [doi]
Sankalp Biswal, Rakesh Kumar Barik, Suman Neogy, Raghvendra Tewari, Amlan Dutta and Debalay Chakrabarti, Unravelling the mechanisms of copper precipitation-induced strengthening in austenitic stainless steels: an atomistic approach, Materialia 32, 101962, 2023 [html] [doi]
Shreya Banerjee, Ranabir Majumder, Budhaditya Mukherjee and Mahitosh Mandal, Selective ada2 inhibition for enhancing anti-tumor immune response in glioma: insights from computational screening of flavonoid compounds, International Journal of Biological Macromolecules 253, 127453, 2023 [html] [doi]
Pramanick, Rohan, Ray, Tirtha Sankar and Shaw, Avirup, Neutrino mass and leptogenesis in a hybrid seesaw model with a spontaneously broken cp, JHEP 06, 099, 2023 [html] [doi]
Pal, Ribhu, Roy, Arnab and Halder, P, Numerical studies of shock-vortex interaction over a wedge during shock-wave diffraction - a new approach (selected as editor's pick), Physics of Fluids 35 (10), 106106-01-106106-16, 2023 [html] [doi]
Kumar Anjneya and Arghya Deb, Uncertainty propagation in discrete element models using pdem, Structures 57, 105326, 2023 [html] [doi]
Krishnendu Buxi, Sandip Kumar Kuila, Ahin Roy and Partha Pratim Jana, Atomic distributions of ag and in in the γ-brass type ag9in4, Journal of Solid State Chemistry 327, 124247, 2023 [html] [doi]
Kuila, Sandip K, Harshit, Roy, Nilanjan, Ghanta, Sivaprasad, Pan, Rahul, Buxi, Krishnendu, Pramanik, Parna, Bera, Anup K, Saha, Bikash, Yusuf, Seikh M and others, Ni3insb: synthesis, crystal structure, electronic structure, and magnetic properties, Inorganic Chemistry 62, 7304-7314, 2023 [html] [doi]
Parth Thaker,Joseph Mathew,Somnath Ghosh, Invariants of the velocity gradient tensor in a spatially developing compressible round jet, Journal of Fluid Mechanics 971, 0-0, 2023 [html] [doi]
Boral, Soumendu, Sen, Srijon, Kushwaha, Tushar, Inampudi, Krishna K and De, Soumya, Extein residues regulate the catalytic function of spl dnax intein enzyme by restricting the near-attack conformations of the active-site residues, Protein Science 32, e4699, 2023 [html] [doi]
Lalit Kumar and Mohammad Saud Afzal, Experimental and numerical modelling of scour at vertical wall abutment under combined wave-current flow in low kc regime, Ocean Engineering 285, 115394, 2023 [html] [doi]
Kumar, Lalit and Afzal, Mohammad Saud, Numerical simulations of scour around vertical wall abutments with varying aspect ratios under combined waves and current flows, Journal of Marine Science and Engineering 11, 1886, 2023 [html] [doi]
Mundhra, Raghav, Lakkaraju, Rajaram, Das, Prasanta Kumar, Pakhomov, Maksim A and Lobanov, Pavel D, Effect of wall proximity and surface tension on a single bubble rising near a vertical wall, Water 15, 2023 [html] [doi]
Sharma, Abhishek, Lakkaraju, Rajaram and Atta, Arnab, Insight into the particle-laden turbulent flow statistics in sharply bent channels, Physics of Fluids 35, 095142, 2023 [html] [doi]
Sharma, Abhishek, Lakkaraju, Rajaram and Atta, Arnab, Influence of channel bend angle on the turbulent statistics in sharply bent channel flows, Physics of Fluids 35, 055102, 2023 [html] [doi]
Das Shuvankar, Chakraborty Debarghya, Effect of surface crack and undercut on the stability of cliff, Theoretical and Applied Fracture Mechanics 127, 104018, 2023 [html] [doi]
Pal, Arijit, Biswas, Souvik, Chaudhury, Koel and Das, Soumen, Paper sensor modified with mos2 for detection of dopamine using a machine-intelligent web app interface, ACS Applied Materials \& Interfaces 15, 43060-43074, 2023 [html] [doi]
Elahi, Kh Md Asif, Bharadwaj, Somnath, Pal, Srijita, Ghosh, Abhik, Ali, Sk Saiyad, Choudhuri, Samir, Chakraborty, Arnab, Datta, Abhirup, Roy, Nirupam, Choudhury, Madhurima and Dutta, Prasun, Towards 21-cm intensity mapping at z = 2.28 with ugmrt using the tapered gridded estimator – iii. foreground removal, Monthly Notices of the Royal Astronomical Society 525, 3439-3454, 2023 [html] [doi]
Rakesh Kumar Barik, Sankalp Biswal, Khilesh Kumar Bhandari, Abhijit Ghosh and Debalay Chakrabarti, Micromechanics of cleavage fracture and the associated tongue formation in ferritic steel, Materials Science and Engineering: A 885, 145616, 2023 [html] [doi]
Rahman, Shakilur, Nath, Subham, Mohan, Utpal and Das, Amit Kumar, Targeting staphylococcal cell–wall biosynthesis protein femx through steered molecular dynamics and drug-repurposing approach, ACS Omega 8, 29292-29301, 2023 [html] [doi]
Das, Sudipto, Das, Sahana and Mandal, Sudhansu S, Anomalous reentrant $5/2$ quantum hall phase at moderate landau-level-mixing strength, Phys. Rev. Lett. 131, 056202, 2023 [html] [doi]
Joshi, Shalini, Roy Chowdhury, Sabyasachi and Mishra, Sabyashachi, Spin-state energetics and magnetic anisotropy in penta-coordinated fe(iii) complexes with different axial and equatorial ligand environments, Phys. Chem. Chem. Phys. 25, 17680-17691, 2023 [html] [doi]
Kumar, Naveen, Chaudhuri, Abhirup, Arya, Vinay, Bakli, Chirodeep and Bera, Chandan, Significantly reduced thermal conductivity and enhanced thermoelectric performance of twisted bilayer graphene, Journal of Applied Physics 134, 044301, 2023 [html] [doi]
Amarjeet Vineet Sharma Chhavi P Pandey Anil K Gupta Arun Chakraborty, Study of moisture flux over uttarakhand state: signature of cloud bursts, Climate Dynamics , , 2023 [html] [doi]
Bera, Sudharanjan, Banerjee, Flora and Samanta, Suman Kalyan, Bowl-shaped phosphate-based polymer nanocontainers loaded with pd nanoparticles for catalytic c–c coupling reactions, ACS Applied Nano Materials 0, null, 2023 [html] [doi]
Bera, Sudharanjan, Banerjee, Flora and Samanta, Suman Kalyan, A phosphate-based organic polymer nanocontainer efficiently hosts ag/ru nanoparticles for heterogeneous catalytic reduction of nitroaromatics and oxidation of benzyl alcohols, ChemNanoMat 9, e202300088, 2023 [html] [doi]
Banerjee, Flora and Samanta, Suman Kalyan, Hierarchical porous organic polymers via the in situ construction of the binol entity: versatile and efficacious adsorbents for multiple industrial toxic contaminants in water, Mater. Chem. Front. 7, 689-697, 2023 [html] [doi]
Sarkar, Subharthi, Maity, Subhra Sekhar and Maity, Rajib, Precipitation-based climate change hotspots across india through a multi-model assessment from cmip6, Journal of Hydrology, 129805, 2023 [html] [doi]
Padhan, Manas Kumar and Mitra, Mira, Effect of grain size distribution of polycrystalline microstructure on in-plane wave propagation, Waves in Random and Complex Media, 1-17, 2023 [html] [doi]
Prabir Sikdar, Sunil Manohar Dash and Kalyan Prasad Sinhamahapatra, A flexible forcing immersed boundary scheme-based one-step simplified lattice boltzmann method for two-dimensional fluid-solid interaction problems, Computers & Fluids 265, 105996, 2023 [html] [doi]
Prasad, Dipak and Mitra, Nilanjan, Catalytic behavior of hydrogen bonded water in oligomerization of silicates, Inorganic Chemistry 62, 1423-1436, 2023 [html] [doi]
Singh, Harshdeep, Majumder, Sonjoy and Mishra, Sabyashachi, Benchmarking of different optimizers in the variational quantum algorithms for applications in quantum chemistry, The Journal of Chemical Physics 159, 044117, 2023 [html] [doi]
Saboo, Arpana, Halder, Soumyadeep, Das, Subrata and Majumder, Sonjoy, Rayleigh-taylor instability in a phase-separated three-component bose-einstein condensate, Phys. Rev. A 108, 013320, 2023 [html] [doi]
Goswami, Debpriyo, Patra, Shanti Gopal and Ray, Debashis, Magneto-structural analysis of hydroxido-bridged cuii2 complexes: density functional theory and other treatments, Magnetochemistry 9, 2023 [html] [doi]
Halder, Soumyadeep, Das, Subrata and Majumder, Sonjoy, Two-dimensional miscible-immiscible supersolid and droplet crystal state in a homonuclear dipolar bosonic mixture, Phys. Rev. A 107, 063303, 2023 [html] [doi]
Kumar, P Pavan, Agrawal, Asutosh, Nayak, Debasis, Biswas, Koushik, Ghosh, Sudipto and Kundu, Tarun Kumar", A comprehensive diffusion-induced stress coupled multiscale modeling and analysis in hard-carbon electrodes of li-ion batteries", Phys. Chem. Chem. Phys., 2023 [html] [doi]
Apurva Raj, Piru Mohan Khan, Md Irshad Alam, Akshay Prakash and Somnath Roy, A gpu-accelerated sharp interface immersed boundary method for versatile geometries, Journal of Computational Physics 478, 111985, 2023 [html] [doi]
Piru Mohan Khan, Apurva Raj, Md Irshad Alam, Suman Chakraborty and Somnath Roy, Prediction of vortex structures in pulsatile flow through s-bend arterial geometry with different stenosis levels, Biocybernetics and Biomedical Engineering 43, 298-312, 2023 [html] [doi]
Khan, Piru Mohan, Sharma, Siddharth D , Chakraborty, Suman and Roy, Somnath, Effect of heart rate on the hemodynamics in healthy and stenosed carotid arteries, Physics of Fluids 35, 061906, 2023 [html] [doi]
Nirmalya Podder, Anannya Saha, Suman K Barman and Sukanta Mandal, Flavonol dioxygenation catalysed by cobalt(ii) complexes supported with 3n(coo) and 4n donor ligands: a comparative study to assess the carboxylate effects on quercetin 2,4-dioxygenase-like reactivity, Dalton Transactions , , 2023 [html] [doi]
Garad, Suraj, Bhattacharyya, Anirban and Datta, Ranadev, Numerical investigations of water column responses at different moonpool locations within a fixed vessel, Journal of Offshore Mechanics and Arctic Engineering 146, 012002, 2023 [html] [doi]
Pal, Tamisra, Sahoo, Subhadip, Ghanta, Krishna Prasad and Bandyopadhyay, Sanjoy, Exploring the heterogeneous dynamical environment at the interface of aβ42 peptide in aqueous ionic liquid solution, The Journal of Physical Chemistry B 127, 5808-5820, 2023 [html] [doi]
Vineeta Shukla, Pausali Nandi and Sanjeev K Srivastava, Charge transfer, electronic transport and magnetic properties of cu1−xnix/reduced graphene oxide nanocomposites, Carbon 212, 118102, 2023 [html] [doi]
Sharma, Debojit, Garnayak, Subrat, Bandopadhyay, Aditya, Dash, SK and Vanteru, Mahendra Reddy, Influence of jet velocity and heat recuperation on the flame stabilization in a non-premixed mesoscale combustor: an exergetic approach, Physics of Fluids 35, 2023 [html] [doi]
Sridhar Sahoo and Dhananjay Kumar Srivastava, Numerical analysis of performance, combustion, and emission characteristics of pfi gasoline, pfi cng, and di cng engine, Energy 278, 127749, 2023 [html] [doi]
Mondal, Sourav, Ballav, Tamal, Mohammad, Tofayel Sheikh and Ganesh, Venkataraman, Bis-benzofulvenes: synthesis and studies on their optoelectronic properties, Organic Letters 25, 3941-3945, 2023 [html] [doi]
Mahto, Madhusudan Kr , Samanta, Dipanjan, Shaw, Manisha, Shaik, Md Abdus Salam, Basu, Rajarshi, Mondal, Imran, Bhattacharya, Angana and Pathak, Amita, Blue-emissive nitrogen-doped carbon dots for picric acid detection: molecular fluorescence quenching mechanism, ACS Applied Nano Materials 6, 8059-8070, 2023 [html] [doi]
Swapnadip De Chowdhury , Jian Guo Zhou , Anatoliy Khait , Tim Pullen , Derek Causon , Ling Qian and Clive Mingham, Wind effects on wave overtopping at a vertical sea defense, Journal of Waterway, Port, Coastal, and Ocean Engineering 149, 04023010, 2023 [html] [doi]
Rakesh Kumar Barik, Sankalp Biswal, Amlan Dutta, Debalay Chakrabarti and Abhijit Ghosh, Effect of solute distribution on the screw dislocation motion in bcc fe-based systems, Computational Materials Science 226, 112211, 2023 [html] [doi]
Banerjee, Subhadeep, Narwal, Ankita, Reddy, Sandeep K and Yamijala, Sharma S R K C, Promising anode materials for alkali metal ion batteries: a case study on cobalt anti-mxenes, Phys. Chem. Chem. Phys. 25, 11789-11804, 2023 [html] [doi]
Elahi, Kh Md Asif, Bharadwaj, Somnath, Ghosh, Abhik, Pal, Srijita, Ali, Sk Saiyad, Choudhuri, Samir, Chakraborty, Arnab, Datta, Abhirup, Roy, Nirupam, Choudhury, Madhurima and Dutta, Prasun, Towards 21-cm intensity mapping at z = 2.28 with ugmrt using the tapered gridded estimator – ii. cross-polarization power spectrum, Monthly Notices of the Royal Astronomical Society 520, 2094-2108, 2023 [html] [doi]
Vishwakarma, Gaurav, Malla, Bijesh K , Reddy, K S S V Prasad, Ghosh, Jyotirmoy, Chowdhury, Soham, Yamijala, Sharma S R K C , Reddy, Sandeep K , Kumar, Rajnish and Pradeep, Thalappil, Induced migration of co2 from hydrate cages to amorphous solid water under ultrahigh vacuum and cryogenic conditions, The Journal of Physical Chemistry Letters 14, 2823-2829, 2023 [html] [doi]
Goudar, Soujanya H , Ingle, Dhiraj S , Sahu, Rahul, Kotha, Srinu, Reddy, Sandeep K , Babu, Deepu J and Kotagiri, Venkata Rao, Perylene diimide-containing dynamic hyper-crosslinked ionic porous organic polymers: modulation of assembly and gas storage, ACS Applied Polymer Materials 5, 2097-2104, 2023 [html] [doi]
Khatun, Maya, Paul, Sayan, Roy, Saikat, Dey, Subhasis and Anoop, Anakuthil, Performance of density functionals and semiempirical 3c methods for small gold–thiolate clusters, The Journal of Physical Chemistry A 127, 2242-2257, 2023 [html] [doi]
Mondal, Souvik, Ghanta, Krishna Prasad and Bandyopadhyay, Sanjoy, Microscopic understanding of the conformational stability of the aggregated nonamyloid β components of α-synuclein, Journal of Chemical Information and Modeling:https://doi.org/10.1021/acs.jcim.2c01540 63, 1542-1555, 2023 [html] [doi]
Yadav, Renu, Sebbah, Patrick, Brundavanam, Maruthi M and Bhaktha B N , Shivakiran, Tracking nanoscale perturbation in active disordered media, Phys. Rev. A 107, 023513, 2023 [html] [doi]
Srijeet Tripathy, Avik Sett, Santanab Majumder and Tarun Kanti Bhattacharyya, Study of gate induced sensitivity amplification in carbon nanotube thin film transistor based ammonia sensor, Sensors and Actuators B: Chemical 382, 133511, 2023 [html] [doi]
Jyoti Upadhyay, Swayam Prabha Misra, Silvia Irusta, Sudhanshu Sharma and Parag A Deshpande, Oxidation of aldehydes to carboxylic acids over geopolymer supported cuo, Molecular Catalysis 536, 112911, 2023 [html] [doi]
Roshan Kumar Jha, Pallabi Bhuyan, Sumantra Mandal and Snehanshu Pal, Insights into the role of nb segregation on grain boundary structural transition and mechanical response in a ni–nb system, Materials Chemistry and Physics 299, 127531, 2023 [html] [doi]
Bapi Mondal, Damodar Maity and Puneet Kumar Patra, Load and resistance factor design for bamboo reinforced concrete beam in ultimate flexural limit state, Structural Safety 102, 102323, 2023 [html] [doi]
Atri Nath, Aninda Pal, Prabhakar Akurati, Ritwik Ghoshal and Nilanjan Mitra, Shark skin biomimetic surface modification for plates: influence on free vibration response, Mechanics Based Design of Structures and Machines 0, 1-24, 2023 [html] [doi]
Shakilur Rahman, Kasturi Sarkar and Amit Kumar Das, Exploring staphylococcal superantigens to design a potential multi-epitope vaccine against staphylococcus aureus: an in-silico reverse vaccinology approach, Journal of Biomolecular Structure and Dynamics 0, 1-15, 2023 [html] [doi]
K Krishnan and Debarghya Chakraborty, Probabilistic seismic passive resistance of hunchback retaining wall considering spatial variability, Computers and Geotechnics 154, 105154, 2023 [html] [doi]
Sahu, Balram and Srivastava, Dhananjay Kumar, "{a numerical study on spray combustion and emissions characteristics of n-heptane, dimethyl ether, and their blends in a constant volume combustion chamber 145, 2023 [html] [doi]

2022

Karak, Pijush, Ruud, Kenneth and Chakrabarti, Swapan, Spin-vibronic interaction induced reverse intersystem crossing: a case study with txo-tpa and txo-phcz molecules, The Journal of Chemical Physics 157, 174101, 2022 [html] [doi]
Kar, Prabir Kumar, Chetan, Ujjwal, Mahato, Jagannath, Sahu, Toshan Lal, Das, P K and Lakkaraju, Rajaram, Heat flux enhancement by regular surface protrusion in partitioned thermal convection, Physics of Fluids 34, 127105, 2022 [html] [doi]
Sahu, Toshan Lal, Chetan, Ujjwal, Mahato, Jagannath, Kar, Prabir Kumar, Das, Prasanta Kumar and Lakkaraju, Rajaram, Formation and breakup of twisting ligaments in a viscous swirling liquid jet, Physics of Fluids 34, 112118, 2022 [html] [doi]
Dakua, Kishan Kumar, Rajak, Karunamoy and Mishra, Sabyashachi, Spin--vibronic coupling in the quantum dynamics of a fe (iii) trigonal-bipyramidal complex, The Journal of Chemical Physics 156, 2022 [html] [doi]
Shalini Singh and P V S N Murthy, Unsteady solute dispersion in pulsatile luo and kuang blood flow (k - l model) in a tube with wall reactive absorption, Journal of Non-Newtonian Fluid Mechanics 310, 104928, 2022 [html] [doi]
Podder, Nirmalya, Dey, Subhasis, Anoop, Anakuthil and Mandal, Sukanta, Oxygenolysis of a series of copper(ii)-flavonolate adducts varying the electronic factors on supporting ligands as a mimic of quercetin 2{,}4-dioxygenase-like activity, Dalton Trans. 51, 2022 [html] [doi]
Das Shuvankar Chakraborty Debarghya, Effect of undercut on the lower bound stability of vertical rock escarpment using finite element and power cone programming, Frontiers of Structural and Civil Engineering 16, 1040-1055, 2022 [html] [doi]
Prasad, Yogeshwar and Garg, Arti, Initial state dependent dynamics across the many-body localization transition, Phys. Rev. B 105, 214202, 2022 [html] [doi]
Panda, Sunanda, Sivadasan, Devipriya, Job, Nisha, Sinjari, Aland, Thirumoorthy, Krishnan, Anoop, Anakuthil and Thimmakondu, Venkatesan S, Why are mgc3h isomers missing in the interstellar medium?, The Journal of Physical Chemistry A 126, 4465-4475, 2022 [html] [doi]
Rai, Divya, Khatua, Satyajit and Taraphder, Srabani, Structure and dynamics of the isozymes ii and ix of human carbonic anhydrase, ACS Omega 7, 31149-31166, 2022 [html] [doi]
Teng Cui, Sankha Mukherjee, Momoko Onodera, Guorui Wang, Boran Kumral, Akibul Islam, Moein Shayegannia, Gopi Krishnan, Nima Barri, Peter Serles, Xiang Zhang, Lucas M Sassi, Jason Tam, Nabil Bassim, Nazir P Kherani, Pulickel M Ajayan, Tomoki Machida, Chandra Veer Singh, Yu Sun and Tobin Filleter, Mechanical reliability of monolayer mos2 and wse2, Matter 5, 2975-2989, 2022 [html] [doi]
Mayuri Bora and Pritam Deb, Proximity induced longitudinal and transverse thermoelectric response in graphene-ferromagnetic crbr3 vdw heterostructure, Journal of Physics: Condensed Matter 35, 055402, 2022 [html] [doi]
Roy Karmakar, Abhirup, Nandy, S , Taraphder, A and Das, G P, Giant anomalous thermal hall effect in tilted type-i magnetic weyl semimetal ${\text{co}}_{3}{\text{sn}}_{2}{\text{s}}_{2}$, Phys. Rev. B 106, 245133, 2022 [html] [doi]
Roy, Saikat and Anoop, Anakuthil, Insights into the active catalyst formation from dinuclear palladium acetate in pd-catalyzed coupling reactions: a dft study, The Journal of Physical Chemistry A 126, 8562-8576, 2022 [html] [doi]
Ghanta, Krishna Prasad, Mondal, Sandip and Bandyopadhyay, Sanjoy, Exploring the dynamic heterogeneity at the interface of a protein in aqueous ionic liquid solutions, The Journal of Physical Chemistry B 126, 7271-7285, 2022 [html] [doi]
Khatua, Prabir, Gupta, Madhulika and Bandyopadhyay, Sanjoy, Exploring heterogeneous dynamical environment around an ensemble of aβ42 peptide monomer conformations, Journal of Chemical Information and Modeling 62, 3453-3462, 2022 [html] [doi]
Pradeep Kumar Yadav, Saroj Kumari, Uppari Naveena, Parag A Deshpande and Sudhanshu Sharma, Insights into the substitutional chemistry of la1−xsrxco1−ymyo3 (m = pd, ru, rh, and pt) probed by in situ drifts and dft analysis of co oxidation, Applied Catalysis A: General 643, 118768, 2022 [html] [doi]
Phanikumar Pentyala, Vibhuti Singhania, Vinay Kumar Duggineni and Parag A Deshpande, Machine learning-assisted dft reveals key descriptors governing the vacancy formation energy in pd-substituted multicomponent ceria, Molecular Catalysis 522, 112190, 2022 [html] [doi]
K S S V Prasad Reddy and Parag A Deshpande, Dft reveals the support effects in pd nanoclusters over defect-ridden graphene for the oxidative addition of bromobenzene, Molecular Catalysis 521, 112205, 2022 [html] [doi]
Snigdha Dey, Saroj Kumari and Parag A Deshpande, A dft analysis unravelling hydrogen sorption pathways in laves phase cu2cd, Applied Surface Science 605, 154721, 2022 [html] [doi]
K S S V Prasad Reddy and Parag A Deshpande, Dft + u analysis of the stability of pdn/ceo2−δ (n=3,4), Applied Surface Science 589, 152948, 2022 [html] [doi]
Halder, S , Mukherjee, K , Mistakidis, S I , Das, S , Kevrekidis, P G , Panigrahi, P K , Majumder, S and Sadeghpour, H R, Control of $^{164}\mathrm{dy}$ bose-einstein condensate phases and dynamics with dipolar anisotropy, Phys. Rev. Research 4, 043124, 2022 [html] [doi]
Sahoo, Sridhar and Srivastava, Dhananjay Kumar, Experimental study on effect of injection timing on pfi gasoline, pfi cng, and di cng engine performance, combustion, and emissions characteristics, Journal of Engineering for Gas Turbines and Power, 1-26, 2022 [html] [doi]
Tamisra Pal, Subhadip Sahoo, Krishna Prasad Ghanta and Sanjoy Bandyopadhyay, Computational investigation of conformational fluctuations of aβ42 monomers in aqueous ionic liquid mixtures, Journal of Molecular Liquids 368, 120779, 2022 [html] [doi]
Gangadhar VRP, A numerical study on the negative lift and point of non-linearity in lift curve of naca 0012 airfoil at low reynolds number, Proceedings of the Joint Conference of the ICTACEM, APCATS, AJSAE, and AESI 2021 , 40, 2022 [html] [doi]
Mishra, Arpit, Bourquard, Claire, Roy, Arnab, Lakkaraju, Rajaram, Ghosh, Parthasarathi and Supponen, Outi, Flow focusing from interacting cavitation bubbles, Phys. Rev. Fluids 7, 110502, 2022 [html] [doi]
Bomjan Gurung, Bikalpa and Saha, Sandeep, Aerodynamic efficiency enhancement of delta wings for micro air vehicles using shape-optimization, Journal of Aircraft 0, 1-12, 2022 [html] [doi]
Manas Kumar Padhan and Mira Mitra, Study of in-plane wave propagation in 2-d polycrystalline microstructure, Mechanics of Advanced Materials and Structures 0, 1-13, 2022 [html] [doi]
Periyal, Arun, Ghoshal, Ritwik and Joshi, Vaibhav, A numerical investigation on flow induced vibration of flexible risers in tandem arrangements Volume 3: Materials Technology; Pipelines, Risers, and Subsea Systems, 2022 [html] [doi]
Saha, Shuvendu and Maji, Modhu Sudan, Cp*co(iii)-catalyzed thiocarbamate-directed c–h aminocarbonylation{,} amination{,} and cascade annulation of pyrroles, Chem. Commun. 58, 10865-10868, 2022 [html] [doi]
Pal, Srijita, Elahi, Kh Md Asif, Bharadwaj, Somnath, Ali, Sk Saiyad, Choudhuri, Samir, Ghosh, Abhik, Chakraborty, Arnab, Datta, Abhirup, Roy, Nirupam, Choudhury, Madhurima and Dutta, Prasun, Towards 21-cm intensity mapping at z = 2.28 with ugmrt using the tapered gridded estimator i: foreground avoidance, Monthly Notices of the Royal Astronomical Society 516, 2022 [html] [doi]
Sanjukta Parida, Sanjib K Patra and Sabyashachi Mishra, Self-assembling behaviour of perylene, perylene diimide, and thionated perylene diimide deciphered through non-covalent interactions, ChemPhysChem, 2022 [html] [doi]
Prasad, Dipak and Mitra, Nilanjan, Silica dimerization in the presence of divalent cations, Phys. Chem. Chem. Phys. 24, 21308-21320, 2022 [html] [doi]
Kag,Vijay , Seshasayanan,Kannabiran and Gopinath,Venkatesh, Physics-informed data based neural networks for two-dimensional turbulence, Physics of Fluids 34, 055130, 2022 [html] [doi]
Ghosh, Suman, Chakrabortty, Rajesh, Kumar, Shailendra, Das, Aniruddha and Ganesh, Venkataraman, Copper-catalyzed protoboration of 1,3-diynes as a platform for iterative functionalization, ACS Catalysis 12, 11660-11666, 2022 [html] [doi]
Das, Gourav, Harikrishna, S and Gore, Kiran R, Influence of sugar modifications on the nucleoside conformation and oligonucleotide stability: a critical review, The Chemical Record:https://onlinelibrary.wiley.com/doi/pdf/10.1002/tcr.202200174 n/a, 2022 [html] [doi]
Shakilur Rahman and Amit Kumar Das, A subtractive proteomics and immunoinformatics approach towards designing a potential multi-epitope vaccine against pathogenic listeria monocytogenes, Microbial Pathogenesis 172, 105782, 2022 [html] [doi]
Ray, Tirtha Sankar, Sarkar, Sambo and Shaw, Abinash Kumar, Constraints on dark matter self-interaction from galactic core size, JCAP 09, 011, 2022 [html] [doi]
Rashika Singh, Prasun Kundu, Gourab Bhattacharje, Amit Kumar Das, Mycobacterium tuberculosis low molecular weight t-cell antigen mtb8.4 has heme-binding and fiber-forming properties, FEBS Letters , 1-18, 2022 [html] [doi]
Sarkar, Subharthi and Maity, Rajib, Future characteristics of extreme precipitation indicate the dominance of frequency over intensity: a multi-model assessment from cmip6 across india, Journal of Geophysical Research: Atmospheres 127, e2021JD035539, 2022 [html] [doi]
Himabindu Battula, Sunita Muduli, Sony Priyanka Bandi, Shristy Kapoor, Sabyashachi Mishra, Himanshu Aggarwal, Venkata Vamsi krishna Venuganti and Subbalakshmi Jayanty, Selective and swift-responsive off-on rhodamine b based chemosensors: recognition of multi-metal ions, on-site sensing of fe({iii}) in water samples and bioimaging in aqueous media 426, 113748, 2022 [html] [doi]
Amit Sil, Sourav Saha Roy, Vipin Kumar Mishra, Sk Najmul Islam, Sabyashachi Mishra and Sanjib K Patra, Modulation of electrochemical and spectroscopic properties in ru({ii})-terpyridyl end-capped homobimetallic organometallic complexes by varying $\uppi$-conjugated organic spacers 7, 2022 [html] [doi]
Kishan Kumar Dakua, Karunamoy Rajak and Sabyashachi Mishra, Spin{\textendash}vibronic coupling in the quantum dynamics of a fe({iii}) trigonal-bipyramidal complex 156, 134103, 2022 [html] [doi]
Subhankar Mandal, Rudra N Samajdar, Sanjukta Parida, Sabyashachi Mishra and Aninda J Bhattacharyya, Transition metal phthalocyanines as redox mediators in li{\textendash}o$\less$sub$\greater$2$\less$/sub$\greater$ batteries: a combined experimental and theoretical study of the influence of 3d electrons in redox mediation 14, 2022 [html] [doi]
Das, Prasenjit, Khatun, Maya, Anoop, Anakuthil and Chattaraj, Pratim Kumar, Csinge4−n2+ (n = 1–3): prospective systems containing planar tetracoordinate carbon (ptc), Phys. Chem. Chem. Phys. 24, 2022 [html] [doi]
Ray, Rohit Kishan, Steepest entropy ascent solution for a continuous-time quantum walker, Phys. Rev. E 106, 024115, 2022 [html] [doi]
Bhattacharje, Gourab, Ghosh, Amit and Das, Amit Kumar, Understanding the mannose transfer mechanism of mycobacterial phosphatidyl-myo-inositol mannosyltransferase a from molecular dynamics simulations, ACS Omega 7, 19288-19304, 2022 [html] [doi]
Das, Subrata, Mukherjee, Koushik and Majumder, Sonjoy, Vortex formation and quantum turbulence with rotating paddle potentials in a two-dimensional binary bose-einstein condensate, Phys. Rev. A 106, 023306, 2022 [html] [doi]
Kumar, Shashi and Deshpande, Parag A, Efficient proton shuttle makes sazca an excellent co2 hydration enzyme, Journal of Biomolecular Structure and Dynamics, 1-10, 2022 [html] [doi]
Prasad, Dipak and Mitra, Nilanjan, Surface reactivity of cementitious crystals alite and belite, The Journal of Physical Chemistry C 126, 11265-11276, 2022 [html] [doi]
Gupta, Deepa, Saha, Probir and Roy, Somnath, "{multi-objective optimization of the perforated micro pin-fin heat sink using non-dominated sorting genetic algorithm-ii coupled with computational fluid dynamics simulation 144, 2022 [html] [doi]
Kumar, Rajesh, Iyer, Saisanthosh G, Prudhvi, Narne and Ghosh, Amardip, Mode transition in a strut based dual-mode scramjet combustor, 3863, 2022 [html]
Gourab Bhattacharje, Amit Ghosh and Amit Kumar Das, In-silico identification of critical residues in the mannose-transfer mechanism of phosphatidyl-myo-inositol mannosyltransferase b′, Biochemical and Biophysical Research Communications 621, 14-19, 2022 [html] [doi]
Saransha Mohanty and Pritam Deb, Nontrivial band topology coupled thermoelectrics in VSe2/MoSe2 van der waals magnetic weyl semimetal, Journal of Physics: Condensed Matter 34, 335801, 2022 [html] [doi]
Bora, Mayuri, Behera, Sushant Kumar, Samal, Prasanjit and Deb, Pritam, Magnetic proximity induced valley-contrasting quantum anomalous hall effect in a graphene-${\mathrm{crbr}}_{3}$ van der waals heterostructure, Phys. Rev. B 105, 235422, 2022 [html] [doi]
Banerjee, Subhadeep, Ghosh, Kalpak, Reddy, Sandeep K and Yamijala, Sharma S R K C, Cobalt anti-mxenes as promising anode materials for sodium-ion batteries, The Journal of Physical Chemistry C 126, 10298-10308, 2022 [html] [doi]
Patel, Shubham, Dey, Urmimala, Adhikari, Narayan Prasad and Taraphder, A, Electric field and strain-induced band-gap engineering and manipulation of the rashba spin splitting in janus van der waals heterostructures, Phys. Rev. B 106, 035125, 2022 [html] [doi]
Kotha, Srinu, Sahu, Rahul, Srideep, Dasari, Yamijala, Sharma S R K C , Kumar Reddy, Sandeep and Venkata Rao, Kotagiri, Cooperative supramolecular polymerization guided by dispersive interactions, Chemistry – An Asian Journal n/a, e202200494, 2022 [html] [doi]
Shakilur Rahman, Karunamoy Rajak, Sabyashachi Mishra and Amit Kumar Das, Identification of potential inhibitors against femx of staphylococcus aureus: a hierarchial in-silico drug repurposing approach, Journal of Molecular Graphics and Modelling 115, 108215, 2022 [html] [doi]
Nilanjan Roy, Biplab Koley, Harshit and Partha P Jana, Formation and stability of rh2cd5 and its strucural correlation with rhcd and rh3cd5−δ (δ ∼ 0.56), Zeitschrift für Kristallographie - Crystalline Materials , 2022 [html] [doi]
Souvik Biswas, Arijit Pal, Pratip Chakraborty, Koel Chaudhury and Soumen Das, Machine learning based urinary ph sensing using polyaniline deposited paper device and integration of smart web app interface: theory to application, Biosensors and Bioelectronics 211, 114332, 2022 [html] [doi]
Mohd Imran Khan and Rajib Maity, Hybrid deep learning approach for multi-step-ahead prediction for daily maximum temperature and heatwaves, Theoretical and Applied Climatology, 2022 [html] [doi]
Mondal, Souvik, Ghanta, Krishna Prasad and Bandyopadhyay, Sanjoy, Dynamic heterogene ity at the interface of an intrinsically disordered peptide, Journal of Chemical Information and Modeling 62, 1942-1955, 2022 [html] [doi]
Roy, Nilanjan, Harshit, Mondal, Amit, Wang, Fei and Jana, Partha P, Structural and t heoretical investigations on the unique coloring scheme of the gamma‐brass type phase, Z. Anorg. Allg. Chem., 2022 [html] [doi]
Thimmakondu, Venkatesan S , Sinjari, Aland, Inostroza, Diego, Vairaprakash, Pothiappan, Thirumoorthy, Krishnan, Roy, Saikat, Anoop, Anakuthil and Tiznado, William, Why an integrated approach between search algorithms and chemical intuition is necessary?, Phys. Chem. Chem. Phys., -, 2022 [html] [doi]
Nitin, Baby, Sandilya, Pavitra and Chakraborty, Goutam, Optimal design of a helical coil support for dewars in fuel cell applications, Environmental Science and Pollution Research, 1-12, 2022 [html] [doi]
Satyajit Khatua and Srabani Taraphder, In the footsteps of an inhibitor unbinding fr om the active site of human carbonic anhydrase ii, Journal of Biomolecular Structure and Dynamics , 1-18, 2022 [html] [doi]
Salam, Amritha Abdul, Mahadevappa, Manjunatha, Das, Asha and Nair, Madhu S, Drg-net: a graph neural network for computer-aided grading of diabetic retinopathy, Signal, Image and Video Processing, 1-7, 2022 [html] [doi]
S Pathak; M Chakraborty; S DasGupta, Molecular investigation of actuation of elec trowetted nanodroplets 0, null, 2022 [html] [doi]
Shukla, Vishwanath and Nazarenko, Sergey, Nonequilibrium bose-einstein condensation, Phys. Rev. A 105, 033305, 2022 [html] [doi]
Patra, Shanti Gopal, Jha, Ruchi, Mondal, Himangshu and Chattaraj, Pratim Kumar, Fischer and schrock carbene complexes in the light of global and local electrophilicity-based descriptors, Journal of Physical Organic Chemistry n/a, e4337, 2022 [html] [doi]
Prasenjit Das and Pratim Kumar Chattaraj, Stabilisation of li(0)-li(0) bond by normal and mesoionic carbenes and electride characteristics of the complexes, Molecular Physics 0, e2026512, 2022 [html] [doi]
Deepak Kumar Gorai and Tarun Kumar Kundu, No adsorption on the os, ir, and pt embedded tri-s-triazine based graphitic carbon nitride: a dft study, Applied Surface Science 590, 153104, 2022 [html] [doi]
Payel Banik, Ranabir Majumder, Anik Mandal, Sanjib Dey and Mahitosh Mandal, A computational study to assess the polymorphic landscape of matrix metalloproteinase 3 promoter and its effects on transcriptional activity, Computers in Biology and Medicine, 105404, 2022 [html] [doi]
Sen, Biswajit, Roy, Saikat, Garai, Sujay, Roy, Sayan, Anoop, Anakuthil and Hajra, Saumen, Stereochemistry of the benzylidene γ-butyrolactone dictates the reductive heck cyclization mode in the asymmetric synthesis of aryltetralin lignans: a detailed experimental and theoretical study, The Journal of Organic Chemistry 0, null, 2022 [html] [doi]
Das, Sahana, Das, Sudipto, Mukherjee, Sutirtha and Mandal, Sudhansu S, From the gaffnian critical point to the incompressible 2/5 quantum hall state, Phys. Rev. B 105, L041305, 2022 [html] [doi]
Ojha, M , Banerjee, M , Ray, S , Singh, A K , Anoop, A and Singh, N D P, Switching photorelease to singlet oxygen generation by oxygen functionalization of phenothiazine photocages, Chemical Communications 58, 2754-2757, 2022 [html] [doi]
Himabindu Battula, Sunita Muduli, Sony Priyanka Bandi, Shristy Kapoor, Sabyashachi Mishra, Himanshu Aggarwal, Venkata Vamsi krishna Venuganti and Subbalakshmi Jayanty, Selective and swift-responsive “off-on” rhodamine b based chemosensors: recognition of multi-metal ions, on-site sensing of fe(iii)in water samples and bioimaging in aqueous media, Journal of Photochemistry and Photobiology A: Chemistry 426, 113748, 2022 [html] [doi]
Susila Mahapatra and Somnath Ghosh, Dns of compressible turbulent flow in convergent-divergent nozzles with isothermal wall, International Journal of Heat and Fluid Flow 94, 108938, 2022 [html] [doi]
Giri, Arghyanir, Biswas, Neelakash, Chase, Danielle L , Xue, Nan, Abkarian, Manouk, Mendez, Simon, Saha, Sandeep and Stone, Howard A, Colliding respiratory jets as a mechanism of air exchange and pathogen transport during conversations, Journal of Fluid Mechanics 930, R1, 2022 [html] [doi]
K Krishnan and Debarghya Chakraborty, Probabilistic study on the bearing capacity of strip footing subjected to combined effect of inclined and eccentric loads, Computers and Geotechnics 141, 104505, 2022 [html] [doi]

2021

Manik Das, Paola Brandao, Soumya Sundar Mati, Saikat Roy, Anakuthil Anoop, Anjima James, Susmita De, Uttam Kumar Das, Soumik Laha, Jisu Mondal, Bidhan Chandra Samanta and Tithi Maity, Effect of ancillary ligand on dna and protein interaction of the two zn (ii) and co (iii) complexes: experimental and theoretical study, Journal of Biomolecular Structure and Dynamics 0, 1-16, 2021 [html] [doi]
Koley, Biplab, Roy, Nilanjan, Harshit, Mallick, Subhadip, Simonov, Arkadiy and Jana, Partha P, A vacancy-driven intermetallic phase: rh3cd5- $\delta$ ($\delta$~ 0.56), Inorganic Chemistry 60, 5488-5496, 2021 [html] [doi]
Mondal, Souvik, Mondal, Sandip and Bandyopadhyay, Sanjoy, Importance of solvent in guiding the conformational properties of an intrinsically disordered peptide, Langmuir 37, 14429-14442, 2021 [html] [doi]
Poddar, Arpita and Chattaraj, Pratim Kumar, Li4epc: a metallo-organic electride comprising metal-nitrogen bonds, International Journal of Quantum Chemistry, e26856, 2021 [html] [doi]
Roy, Saikat, Thirumoorthy, Krishnan, Padidela, Uday Kumar, Vairaprakash, Pothiappan, Anoop, Anakuthil and Thimmakondu, Venkatesan S, Organomagnesium crown ethers and their binding affinities with li+, na+, k+, be2+, mg2+, and ca2+ ions – a theoretical study, ChemistrySelect:https://chemistry-europe.onlinelibrary.wiley.com/doi/pdf/10.1002/slct.202102317 6, 8782-8790, 2021 [html] [doi]
Jay Krishan, supervisor: Tarun Kumar Kundu, Experimental and computational study of high capacity silicon-oxide/hard carbon based anode materials for lithium-ion bat tery, Ph.D Thesis , , 2021 [html] [doi]
Paul, Tanmoy Kumar and Taraphder, Srabani, Molecular modelling of two coordination states of zn (ii) ion at the active site of human carbonic anhydrase ii, Chemical Physics 549, 111281, 2021 [html] [doi]
Shaw, Abinash Kumar, Bharadwaj, Somnath, Sarkar, Debanjan, Mazumdar, Arindam, Singh, Sukhdeep and Majumdar, Suman, A fast estimator for quantifying the shape dependence of the 3d bispectrum, \jcap:2107.14564 2021, 024, 2021 [html] [doi]
Bhattacharyya, Siddhartha, Tiwari, Himanshu, Bharadwaj, Somnath and Majumdar, Suman, A maximum likelihood estimate of the parameters of the frb population:2109.06785, 2021 [html] [doi]
Deepak Kumar Gorai, Tarun Kumar Kundu, Platinum-silicon doped graphitic carbon nitride: a first principle calculation, Physica B: Condensed Matter , 413547, 2021 [html] [doi]
Mitra, Arijit, Das, Saptarshi, Das, Debasish, Majumder, Subhasish B and Das, Siddhartha, Effect of salt concentration on the solubility, ion-dynamics, and transport properties of dissolved vanadium ions in lithium-ion battery electrolytes: generalized solubility limit approach (part ii), arXiv preprint arXiv:2111.14591, 2021 [html]
Anwarhussaini Syed, Sabyashachi Mishra and Subbalakshmi Jayanty, 7, 7-bis(n, n-diethylethylenediamino)-8, 8-dicyanoquinodimethane: effect of ethyl moiety on the photophysical property besides thermal stability, Journal of Fluorescence, 2021 [html] [doi]
Omkar Mypati, Polkampally Pavan Kumar, Perwej Iqbal Md, Surjya Kanta Pal and Prakash Srirangam, Molecular dynamics simulation of atomic diffusion in friction stir spot welded al to cu joints, Mechanics of Advanced Materials and Structures:https://doi.org/10.1080/15376494.2021.1972188 0, 1-7, 2021 [html] [doi]
S Kumar S Ghosh, Application of bandwidth-optimized weno schemes to dns ofshock-turbulence interaction problems, Shock Waves , , 2021 [html] [doi]
Jana, Gourhari, Pal, Ranita and Chattaraj, Pratim Kumar, Xngnsi (x = hcc, f; ng = kr, xe, rn): a new class of metastable insertion compounds containing ng--c/f and ng--n bonds and possible isomerization therein, The Journal of Physical Chemistry A, 2021 [html] [doi]
Khatun, Maya, Roy, Saikat, Giri, Sandip, CH, Sasanka Sankhar Reddy, Anoop, Anakuthil and Thimmakondu, Venkatesan S, Bal4mg−/0/+: global minima with a planar tetracoordinate or hypercoordinate boron atom, Atoms 9, 2021 [html] [doi]
Karak, Pijush, Ruud, Kenneth and Chakrabarti, Swapan, Demystifying the origin of vibrational coherence transfer between the s1 and t1 states of the pt-pop complex, The Journal of Physical Chemistry Letters 12, 9768-9773, 2021 [html] [doi]
Mondal, Rajesh, Mellema, Garrelt, Shaw, Abinash Kumar, Kamran, Mohd and Majumdar, Suman, The epoch of reionization 21-cm bispectrum: the impact of light-cone effects and detectability, Monthly Notices of the Royal Astronomical Society 508, 3848, 2021 [html] [doi]
Seshasayanan, Kannabiran, Dallas, Vassilios and Fauve, Stephan, Bifurcations of a plane parallel flow with kolmogorov forcing, Phys. Rev. Fluids 6, 103902, 2021 [html] [doi]
Nilanjan Roy, Saroj Kumari, Harshit, Partha P Jana and Parag A Deshpande, Hydrogen storage properties of hexagonal c14 laves phase cu2cd: a dft study, Journal of Solid State Chemistry 304, 122560, 2021 [html] [doi]
Ghose, Anirban, Maity, Srijeeta, Kar, Arijit and Dey, Soumyajit, Orchestration of perception systems for reliable performance in heterogeneous platforms , 1757-1762, 2021 [doi]
Arijit Mitra, Subhasish Basu Majumder and Siddhartha Das, Investigations on the improved electrochemical performance of layered fe-v-o kazakhstanite phase by using superconcentrated electrolytes, ECS} Meeting Abstracts MA}2021-01, 469-469, 2021 [html] [doi]
Jagannath Mahato, Dhananjay Kumar Srivastava, Dinesh Kumar Chandraker, Rajaram Lakkaraju, On offset placement of a compound droplet in a channel flow, J. Fluids Engg-ASME 144, 031401, 2021 [html] [doi]
Madhulekha Rakshit, Sunita Muduli, Prem Prakash Srivastav and Sabyashachi Mishra, Pomegranate peel polyphenols prophylaxis against sars-cov-2 main protease by in-silico docking and molecular dynamics study, Journal of Biomolecular Structure and Dynamics 0, 1-15, 2021 [html] [doi]
Reddy, K S S V Prasad and Deshpande, Parag A, Density functional theory study of the immobilization and hindered surface migration of pd3 and pd4 nanoclusters over defect-ridden graphene: implications for heterogeneous catalysis, ACS Applied Nano Materials 4, 9068-9079, 2021 [html] [doi]
Vikesh Kumar Jha, Sanghamitra Das, Vasudevan Subramaniyan, Tapas Guchhait, Kishan Kumar Dakua, Sabyashachi Mishra and Ganesan Mani, Synthesis, structural characterization, and bonding analysis of two-coordinate copper(i) and silver(i) complexes of pyrrole-based bis(phosphinimine): new metal{\textendash}pyrrole ring $\uppi$-interactions, Dalton Transactions 50, 8036-8044, 2021 [html] [doi]
Ghanta, Krishna Prasad, Mondal, Souvik, Mondal, Sandip and Bandyopadhyay, Sanjoy, Contrasting effects of ionic liquids of varying degree of hydrophilicity on the conformational and interfacial properties of a globular protein, The Journal of Physical Chemistry B, 2021 [html] [doi]
Bera, Satabdi, Roy, Saikat, Pal, Shyam Chand, Anoop, Anakuthil and Samanta, Rajarshi, Iridium(iii)-catalyzed intermolecular mild n-arylation of aliphatic amides using quinoid carbene: a migratory insertion-based approach, ACS Catalysis 11, 10847-10854, 2021 [html] [doi]
Ranjini Sarkar and Tarun Kumar Kundu, Density functional theory-based analyses on selective gas separation by Î²-pvdf-supported ionic liquid membranes, Journal of Molecular Graphics and Modelling, 108004, 2021 [html] [doi]
Job, Nisha, Khatun, Maya, Thirumoorthy, Krishnan, CH, Sasanka Sankhar Reddy, Chandrasekaran, Vijayanand, Anoop, Anakuthil and Thimmakondu, Venkatesan S, Cal4mg0/-: global minima with a planar tetracoordinate carbon atom, Atoms 9, 24, 2021 [html] [doi]
Das, Sahana, Das, Sudipto and Mandal, Sudhansu S, Unconventional filling factor of 4/11: a closed-form ground-state wave function, Physical Review B 103, 075304, 2021 [html] [doi]
Sahu,Rahul and Nayar,Divya, Crowding effects on water-mediated hydrophobic interactions, The Journal of Chemical Physics 155, 024903, 2021 [html] [doi]
Das,Prasenjit and Chattaraj,Pratim Kumar, Substituent effects on electride characteristics of mg2(η5-c5h5)2: a theoretical study, The Journal of Physical Chemistry, 2021 [html] [doi]
Alam, Md Irshad, Raj, Apurva, Khan, Piru Mohan, Kumar, Subrata and Roy, Somnath, Numerical simulation of flow of a shear-thinning carreau fluid over a transversely oscillating cylinder, Journal of Fluid Mechanics 921, A23, 2021 [html] [doi]
Bharat Manna, Supratim Datta and Amit Ghosh, Understanding the dissolution of softwood lignin in ionic liquid and water mixed solvents, International Journal of Biological Macromolecules 182, 402-412, 2021 [html] [doi]
Atanuka Paul and Sabyashachi Mishra, Metal-ion promiscuity of microbial enzyme {dape} at its second metal-binding site, JBIC, Journal of Biological Inorganic Chemistry 26, 569-582, 2021 [html] [doi]
Radhakrishnan, Rokesh, Manna, Bharat and Ghosh, Amit, Solvent induced conformational changes for the altered activity of laccase: a molecular dynamics study, Journal of Hazardous Materials, 127123, 2021 [html] [doi]
Manna, Bharat, Datta, Supratim and Ghosh, Amit, Understanding the dissolution of softwood lignin in ionic liquid and water mixed solvents, International Journal of Biological Macromolecules 182, 402-412, 2021 [html] [doi]
Roy, Saikat, Thirumoorthy, Krishnan, Padidela, Uday Kumar, Vairaprakash, Pothiappan, Anoop, Anakuthil and Thimmakondu, Venkatesan S, Organomagnesium crown ethers and their binding affinities with li+, na+, k+, be2+, mg2+, and ca2+ ions--a theoretical study, ChemistrySelect 6, 8782-8790, 2021 [html] [doi]

2020

Kotagiri, Venkata Rao, Kotha, Srinu, Mabesoone, Mathijs F J, Srideep, Dasari, Sahu, Rahul and Reddy, Sandeep K, Supramolecular depolymerization in the mixture of two poor solvents: mechanistic insights and modulation of supramolecular polymerization of ionic π-systems, Angewandte Chemie International Edition:https://onlinelibrary.wiley.com/doi/pdf/10.1002/anie.202011977, 2020 [html] [doi]
Kar, Prabir Kumar, Kumar, Yada Nandu, Das, P K and Lakkaraju, Rajaram, Thermal convection in octagonal-shaped enclosures, Phys. Rev. Fluids 5, 103501, 2020 [html] [doi]
Das, Arghya, Bhowmik, Anal, Dutta, Narendra Nath and Majumder, Sonjoy, Many-body calculations and hyperfine-interaction effect on dynamic polarizabilities at the low-lying energy levels of y 2+, Physical Review A 102, 012801, 2020 [html] [doi]

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List of Conference Presentations

(1) Will be updated soon

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