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BITS Pilani Institutional Repository
Browsing by Author Roy, Ram Kinkar
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Showing results 43 to 56 of 56
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Issue Date
Title
Author(s)
1993
Principle of maximum hardness: an accurate ab initio study
Roy, Ram Kinkar
1999-06-15
Reactivity and stability of aromatic carbonyl compounds using density functional theory-based local and global reactivity descriptors
Roy, Ram Kinkar
2013
Relative Contribution of Combined Kinetic and Exchange Energy Terms vs the Electronic Component of Molecular Electrostatic Potential in Hardness Potential Derivatives
Roy, Ram Kinkar
2001
A Simple Model to Predict Preferable Aldol Products from Unsymmetrical Ketones Using Local Hard−Soft Acid−Base Concept
Roy, Ram Kinkar
2001
A Simple Model to Predict Preferable Aldol Products from Unsymmetrical Ketones Using Local Hard−Soft Acid−Base Concept
Roy, Ram Kinkar
1998-08-12
Site of Protonation in Aniline and Substituted Anilines in the Gas Phase: A Study via the Local Hard and Soft Acids and Bases Concept
Roy, Ram Kinkar
2019-03-02
Solvent effect on stabilization energy: An approach based on density functional reactivity theory
Roy, Ram Kinkar
1994-03-01
Stationary multideterminantal coupled-cluster response
Roy, Ram Kinkar
2003-11-11
Stockholders Charge Partitioning Technique. A Reliable Electron Population Analysis Scheme to Predict Intramolecular Reactivity Sequence
Roy, Ram Kinkar
2010
Studies of regioselectivity of large molecular systems using DFT based reactivity descriptors
Roy, Ram Kinkar
2014-03
Study on photophysical properties and prototropic equilibria of trans-2-[4-(N,N-dimethylaminostyryl)]pyridine
Roy, Ram Kinkar
2012-12-11
Understanding the preferential binding interaction of aqua-cisplatins with nucleobase guanine over adenine: a density functional reactivity theory based approach
Roy, Ram Kinkar
2020
Validation of Hammett’s Linear Free Energy Relationship Through an Unconventional Approach
Roy, Ram Kinkar
2002-05-06
Variational principles for describing chemical reactions: Condensed reactivity indices
Roy, Ram Kinkar
