Chitra Rajappa

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Publications (18)

• A molecular dynamics study of ambient and high pressure phases of silica: Structure and enthalpy variation with molar volume
  2014 DOI: 10.1063/1.4885141
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• Diffusion of pentane isomers in faujasite-type zeolites : NMR and molecular dynamics study
  2013 DOI: 10.1016/j.micromeso.2012.12.036
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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
  2002 DOI: 10.1021/jp011462h
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• Preferential Interactions of Cosolvents with Hydrophobic Solutes
  2001 DOI: 10.1021/jp012354y
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• A comparison of the properties of 2,2,2-trifluoroethanol and 2,2,2-trifluoroethanol/water mixtures using different force fields
  2001 DOI: 10.1063/1.1396676
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• Properties of 2,2,2-trifluoroethanol and water mixtures
  2001 DOI: 10.1063/1.1330577
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• Translational–orientational coupling during passage of methane through the bottleneck in zeolite A
  2001 DOI: 10.1063/1.1334956
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• Molecular Dynamics Simulations of the Properties of Cosolvent Solutions
  2000 DOI: 10.1021/jp000558t
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• Separation of multi-component mixtures by the use of the anomalous regime in the diffusivity
  2000 DOI: 10.1080/00268970009483333
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• Levitation effect and its relationship with the underlying potential energy landscape
  1999 DOI: 10.1063/1.478496
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