Mechanism of polymer collapse in miscible good solvents F Rodríguez-Ropero, T Hajari, NFA van der Vegt The Journal of Physical Chemistry B 119 (51), 15780-15788, 2015 | 109 | 2015 |
Mutual Exclusion of Urea and Trimethylamine N-Oxide from Amino Acids in Mixed Solvent Environment P Ganguly, T Hajari, JE Shea, NFA van der Vegt The journal of physical chemistry letters 6 (4), 581-585, 2015 | 88 | 2015 |
Enthalpy–entropy of cation association with the acetate anion in water T Hajari, P Ganguly, NFA van der Vegt Journal of chemical theory and computation 8 (10), 3804-3809, 2012 | 26 | 2012 |
Solvation thermodynamics of amino acid side chains on a short peptide backbone T Hajari, NFA van der Vegt The Journal of Chemical Physics 142 (14), 2015 | 24 | 2015 |
Molecular simulation study on hofmeister cations and the aqueous solubility of benzene P Ganguly, T Hajari, NFA van der Vegt The Journal of Physical Chemistry B 118 (20), 5331-5339, 2014 | 20 | 2014 |
Water structure around hydrophobic amino acid side chain analogs using different water models T Hajari, S Bandyopadhyay The Journal of Chemical Physics 146 (22), 2017 | 19 | 2017 |
Peptide backbone effect on hydration free energies of amino acid side chains T Hajari, NFA van der Vegt The Journal of Physical Chemistry B 118 (46), 13162-13168, 2014 | 11 | 2014 |
Solvation structures of sodium halides in dimethyl sulfoxide (DMSO)–methanol (MeOH) mixtures MK Dixit, T Hajari, BL Tembe Molecular Simulation 43 (3), 154-168, 2017 | 8 | 2017 |
The effect of urea and taurine osmolytes on hydrophobic association and solvation of methane and neopentane molecules MK Dixit, T Hajari, BL Tembe Journal of Molecular Liquids 223, 660-671, 2016 | 7 | 2016 |
Hydrophobic association and solvation of neopentane in urea, TMAO and urea–TMAO solutions T Hajari, M Dixit, HOS Yadav Physical Chemistry Chemical Physics 24 (11), 6941-6957, 2022 | 4 | 2022 |
Ion pairing and preferential solvation of butylmethylimidazolium chloride ion pair in water-ethanol mixtures by using molecular dynamics simulations MD Meti, M Dixit, T Hajari, BL Tembe Chemical Physics Letters 720, 107-112, 2019 | 4 | 2019 |
Impact of an Ionic Liquid on Amino Acid Side Chains: A Perspective from Molecular Simulation Studies KP Ghanta, S Mondal, T Hajari, S Bandyopadhyay Journal of Chemical Information and Modeling 63 (3), 959-972, 2023 | 2 | 2023 |
Potentials of mean force for the exo and endo solvolysis of 2-norbornyl chloride in water and DMSO: A constrained molecular dynamics study# SC Tiwari, T Hajari, A Sharma, BL Tembe Journal of Chemical Sciences 124, 327-332, 2012 | 1 | 2012 |
Ionic Pairing and Selective Solvation of Butylmethylimidazolium Chloride Ion Pairs in DMSO–Water Mixtures: A Comprehensive Examination via Molecular Dynamics Simulations and … M Dixit, T Hajari, MD Meti, S Srivastava, A Srivastava, J Daniel The Journal of Physical Chemistry B, 2024 | | 2024 |
Ionic Pairing and Selective Solvation of Butylmethylimidazolium Chloride Ion Pair in DMSO-Water Mixtures: A Comprehensive Examination via Molecular Dynamics Simulations and … MD Meti, S Srivastava, A Srivastava, T Hajari, M Dixit | | 2023 |
Molecular simulations of Hofmeister ion pairing and solvation of protein building blocks in aqueous interfacial environments T Hajari TU Darmstadt, 2015 | | 2015 |