Subscribe to this collection to receive daily e-mail notification of new additions

Issue Date	Title	Author(s)
1993	Principle of maximum hardness: an accurate ab initio study	Roy, Ram Kinkar
1994-03-01	Stationary multideterminantal coupled-cluster response	Roy, Ram Kinkar
1994	Change of Hardness and Chemical Potential in Chemical Binding: A Quantitative Model	Roy, Ram Kinkar
1994	Correlation of Polarizability, Hardness, and Electronegativity: Polyatomic Molecules	Roy, Ram Kinkar
1995-02-10	Hardness as a function of polarizability in a reaction profile	Roy, Ram Kinkar
1995	Chemical Potential and Hardness for Open Shell Radicals: Model for the Corresponding Anions	Roy, Ram Kinkar
1997	The Local Hard−Soft Acid−Base Principle:  A Critical Study	Roy, Ram Kinkar
1994	Change of Hardness and Chemical Potential in Chemical Binding: A Quantitative Model	Roy, Ram Kinkar
1998	Local Softness and Hardness Based Reactivity Descriptors for Predicting Intra- and Intermolecular Reactivity Sequences: Carbonyl Compounds	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
1999-04-22	On non-negativity of Fukui function indices	Roy, Ram Kinkar
2000-12	Basicity of the framework oxygen atom of alkali and alkaline earth-exchanged zeolites: a hard–soft acid–base approach	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
2001-08-06	Mulliken population analysis based evaluation of condensed Fukui function indices using fractional molecular charge	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
2002-05-06	Variational principles for describing chemical reactions: Condensed reactivity indices	Roy, Ram Kinkar
2002	Chiral Interaction in Enantiomeric and Racemic Dipalmitoyl Phosphatidylcholine Langmuir Monolayer	Roy, Ram Kinkar
2002-12-28	Nucleophilic Substitution Reaction of Alkyl Halides:  A Case Study on Density Functional Theory (DFT) Based Local Reactivity Descriptors	Roy, Ram Kinkar
2003-11-11	Stockholders Charge Partitioning Technique. A Reliable Electron Population Analysis Scheme to Predict Intramolecular Reactivity Sequence	Roy, Ram Kinkar