| Properties of 2, 2, 2-trifluoroethanol and water mixtures R Chitra, PE Smith The Journal of Chemical Physics 114 (1), 426-435, 2001 | 147 | 2001 |
| Molecular association in solution: a Kirkwood-Buff analysis of sodium chloride, ammonium sulfate, guanidinium chloride, urea, and 2, 2, 2-trifluoroethanol in water R Chitra, PE Smith The Journal of Physical Chemistry B 106 (6), 1491-1500, 2002 | 142 | 2002 |
| A comparison of the properties of 2, 2, 2-trifluoroethanol and 2, 2, 2-trifluoroethanol/water mixtures using different force fields R Chitra, PE Smith The Journal of Chemical Physics 115 (12), 5521-5530, 2001 | 109 | 2001 |
| Preferential interactions of cosolvents with hydrophobic solutes R Chitra, PE Smith The Journal of Physical Chemistry B 105 (46), 11513-11522, 2001 | 101 | 2001 |
| Molecular dynamics simulations of the properties of cosolvent solutions R Chitra, PE Smith The Journal of Physical Chemistry B 104 (24), 5854-5864, 2000 | 81 | 2000 |
| Estimation of error in the diffusion coefficient from molecular dynamics simulations R Chitra, S Yashonath The Journal of Physical Chemistry B 101 (27), 5437-5445, 1997 | 80 | 1997 |
| Levitation effect and its relationship with the underlying potential energy landscape C Rajappa, S Yashonath The Journal of chemical physics 110 (12), 5960-5968, 1999 | 31 | 1999 |
| Diffusion behaviour of binary mixtures in restricted regions of zeolite NaY from molecular dynamics calculations R Chitra, S Yashonath Chemical physics letters 234 (1), 16-20, 1995 | 17 | 1995 |
| Diffusion of pentane isomers in faujasite-type zeolites: NMR and molecular dynamics study C Rajappa, C Krause, BJ Borah, Z Adem, P Galvosas, J Kärger, ... Microporous and Mesoporous Materials 171, 58-64, 2013 | 12 | 2013 |
| Translational–orientational coupling during passage of methane through the bottleneck in zeolite A R Chitra, AVA Kumar, S Yashonath The Journal of Chemical Physics 114 (1), 11-14, 2001 | 11 | 2001 |
| A molecular dynamics study of ambient and high pressure phases of silica: Structure and enthalpy variation with molar volume C Rajappa, SB Sringeri, Y Subramanian, J Gopalakrishnan J. Chem. Phys. 140 (24), 244512, 2014 | 10 | 2014 |
| Levitation effect and its dependence on sorbate concentration C Rajappa, S Yashonath The Journal of Physical Chemistry B 101 (40), 8035-8037, 1997 | 9 | 1997 |
| Monte Carlo and molecular dynamics simulation of argon clusters andn-alkanes in the confined regions of zeolites C Rajappa, S Bandyopadhyay, Y Subramanian Bulletin of Materials Science 20 (6), 845-878, 1997 | 7 | 1997 |
| Separation of multi-component mixtures by the use of the anomalous regime in the diffusivity C Rajappa, S Yashonath Molecular Physics 98 (10), 657-665, 2000 | 6 | 2000 |
| Inverse Surface Melting in Confined Clusters: Ar13 in Zeolite L R Chitra, S Yashonath The Journal of Physical Chemistry B 101 (3), 389-395, 1997 | 6 | 1997 |
| Monte Carlo simulation of an argon cluster confined in zeolite NaCaA R Chitra, S Yashonath Chemical physics letters 252 (5), 384-388, 1996 | 4 | 1996 |
| Effect of confinement in the α-cages of zeolite NaCaA on the properties of Ar13 cluster: A Monte Carlo study R Chitra, S Yashonath Proceedings of the Indian Academy of Sciences-Chemical Sciences 109 (3), 189-202, 1997 | 2 | 1997 |
| Monte Carlo Studies of Argon Clusters Confined in Zeolites R Chitra, S Yashonath Frontiers in Materials Modelling and Design, 214-227, 1998 | | 1998 |
