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Showing 10 out of a total of 33 results for community: BITS Faculty Publications. (0.008 seconds)

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Reactivity and stability of aromatic carbonyl compounds using density functional theory-based local and global reactivity descriptors

Roy, Ram Kinkar (Wiley, 1999-06-15)
On non-negativity of Fukui function indices

Roy, Ram Kinkar (AIP, 1999-04-22)
Local Softness and Hardness Based Reactivity Descriptors for Predicting Intra- and Intermolecular Reactivity Sequences: Carbonyl Compounds

Roy, Ram Kinkar (ACS, 1998)
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 (ACS, 1998-08-12)
The Local Hard−Soft Acid−Base Principle: A Critical Study

Roy, Ram Kinkar (ACS, 1997)
Correlation of Polarizability, Hardness, and Electronegativity: Polyatomic Molecules

Roy, Ram Kinkar (ACS, 1994)
Change of Hardness and Chemical Potential in Chemical Binding: A Quantitative Model

Roy, Ram Kinkar (ACS, 1994)
Chemical Potential and Hardness for Open Shell Radicals: Model for the Corresponding Anions

Roy, Ram Kinkar (ACS, 1995)
Hardness as a function of polarizability in a reaction profile

Roy, Ram Kinkar (Elsiever, 1995-02-10)
Stationary multideterminantal coupled-cluster response

Roy, Ram Kinkar (APS, 1994-03-01)

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