Chitra Rajappa
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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
1312002
Properties of 2, 2, 2-trifluoroethanol and water mixtures
R Chitra, PE Smith
The Journal of Chemical Physics 114 (1), 426-435, 2001
1312001
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
1032001
Preferential interactions of cosolvents with hydrophobic solutes
R Chitra, PE Smith
The Journal of Physical Chemistry B 105 (46), 11513-11522, 2001
882001
Molecular dynamics simulations of the properties of cosolvent solutions
R Chitra, PE Smith
The Journal of Physical Chemistry B 104 (24), 5854-5864, 2000
762000
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
691997
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
341999
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
161995
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
112013
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
102001
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
92014
Levitation effect and its dependence on sorbate concentration
C Rajappa, S Yashonath
The Journal of Physical Chemistry B 101 (40), 8035-8037, 1997
91997
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
71997
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
62000
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
61997
Monte Carlo simulation of an argon cluster confined in zeolite NaCaA
R Chitra, S Yashonath
Chemical physics letters 252 (5), 384-388, 1996
41996
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
21997
Monte Carlo Studies of Argon Clusters Confined in Zeolites
R Chitra, S Yashonath
Frontiers in Materials Modelling and Design, 214-227, 1998
1998
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학술자료 1–18