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 | 74 | 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 | 67 | 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 | 19 | 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), 04B607_1, 2015 | 14 | 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 | 12 | 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), 225104, 2017 | 11 | 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 | 8 | 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 | 2 | 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 | 1 | 2016 |
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 (1), 327-332, 2012 | 1 | 2012 |
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 | | 2019 |
Molecular simulations of Hofmeister ion pairing and solvation of protein building blocks in aqueous interfacial environments T Hajari TU Darmstadt, 2015 | | 2015 |