| How Crystals Nucleate and Grow in Aqueous NaCl Solution D Chakraborty, GN Patey The Journal of Physical Chemistry Letters, 0 | 120 | |
| Evidence that crystal nucleation in aqueous NaCl solution occurs by the two-step mechanism D Chakraborty, GN Patey Chemical Physics Letters 587, 25-29, 2013 | 67 | 2013 |
| Effects of ion concentration on the hydrogen bonded structure of water in the vicinity of ions in aqueous NaCl solutions A Nag, D Chakraborty, A Chandra Journal of Chemical Sciences 120, 71-77, 2008 | 53 | 2008 |
| A first principles simulation study of fluctuations of hydrogen bonds and vibrational frequencies of water at liquid–vapor interface D Chakraborty, A Chandra Chemical Physics 392 (1), 96-104, 2012 | 45 | 2012 |
| Hydrogen bonded structure and dynamics of liquid-vapor interface of water-ammonia mixture: An ab initio molecular dynamics study D Chakraborty, A Chandra The Journal of chemical physics 135 (11), 2011 | 44 | 2011 |
| An analysis of voids and necks in supercritical water D Chakraborty, A Chandra Journal of Molecular Liquids 163 (1), 1-6, 2011 | 28 | 2011 |
| Stay Wet, Stay Stable? How Internal Water Helps Stability of Thermophilic Proteins D Chakraborty, A Taly, F Sterpone J. Phys. Chem. B, 2015 | 26 | 2015 |
| Interstitial voids and resultant density of liquid water: A first-principles molecular dynamics study DCBSM S. Biswas ACS Omega 3 (2), 2010, 2018 | 25 | 2018 |
| Effective inhibition of mild steel corrosion by 6-bromo-(2, 4-dimethoxyphenyl) methylidene] imidazo [1, 2-a] pyridine-2-carbohydrazide in 0.5 M HCl: Insights from experimental … KV Shenoy, PP Venugopal, PDR Kumari, D Chakraborty Journal of Molecular Structure 1232, 130074, 2021 | 23 | 2021 |
| Anti-corrosion investigation of a new nitro veratraldehyde substituted imidazopyridine derivative Schiff base on mild steel surface in hydrochloric acid medium: Experimental … PP Venugopal, PDR Kumari, D Chakraborty Materials Chemistry and Physics 281, 125855, 2022 | 21 | 2022 |
| Structural and thermophysical anomalies of liquid water: A tale of molecules in the instantaneous low-and high-density regions A Priyadarshini, A Biswas, D Chakraborty, BS Mallik The Journal of Physical Chemistry B 124 (6), 1071-1081, 2020 | 21 | 2020 |
| Diffusion of ions in supercritical water: Dependence on ion size and solvent density and roles of voids and necks D Chakraborty, A Chandra Journal of Molecular Liquids 162 (1), 12-19, 2011 | 21 | 2011 |
| Effect of hydrophobic and hydrogen bonding interactions on the potency of ß‐alanine analogs of G‐protein coupled glucagon receptor inhibitors PP Venugopal, BK Das, E Soorya, D Chakraborty Proteins: Structure, Function, and Bioinformatics 88 (2), 327-344, 2020 | 18 | 2020 |
| Pressure effects on diffusion in liquid ammonia: A simulation study using a combination of isobaric-isothermal and microcanonical molecular dynamics S Chowdhuri, D Chakraborty, A Chandra Indian Journal of Physics 83, 91-100, 2009 | 14 | 2009 |
| Epitope-Based Potential Vaccine Candidate for Humoral and Cell-Mediated Immunity to Combat Severe Acute Respiratory Syndrome Coronavirus 2 Pandemic B Das, D Chakraborty The Journal of Physical Chemistry Letters 11, 9920, 2020 | 13 | 2020 |
| Carbohelicenes and thiahelicene from phthalaldehydes through Perkin approach P Sarkar, BK Das, D Chakraborty, K Muthamma Journal of Molecular Structure 1195, 309-314, 2019 | 13 | 2019 |
| Computational insights into factor affecting the potency of diaryl sulfone analogs as Escherichia coli dihydropteroate synthase inhibitors BK VDebashreeChakraborty Computational Biology and Chemistry, 2018 | 13* | 2018 |
| In-silico epitope identification and design of Uricase mutein with reduced immunogenicity AK Nelapati, BK Das, JBP Ettiyappan, D Chakraborty Process biochemistry 92, 288-302, 2020 | 10 | 2020 |
| An ab initio molecular dynamics study of water–carbon tetrachloride liquid–liquid interface: nature of interfacial structure, hydrogen bonds and dynamics D Chakraborty, BS Mallik, A Chandra Current Science, 1207-1218, 2014 | 10 | 2014 |
| Effect of cosolvents in the preferential binding affinity of water in aqueous solutions of amino acids and amides D HN, D Chakraborty Journal of Molecular Liquids 300, 112375, 2020 | 9 | 2020 |
