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Browsing by Author Roy, Ram Kinkar

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Issue Date	Title	Author(s)
1997	The Local Hard−Soft Acid−Base Principle: A Critical Study	Roy, Ram Kinkar
2004-05	Local reactivity descriptors to predict the strength of Lewis acid sites in alkali cation-exchanged zeolites	Roy, Ram Kinkar
1998	Local Softness and Hardness Based Reactivity Descriptors for Predicting Intra- and Intermolecular Reactivity Sequences: Carbonyl Compounds	Roy, Ram Kinkar
2001-08-06	Mulliken population analysis based evaluation of condensed Fukui function indices using fractional molecular charge	Roy, Ram Kinkar
2008	N-Dependence problem of local hardness parameter	Roy, Ram Kinkar
2015-09	Negativity of Fukui function of some isolated s and p block elements: The role of orbital relaxation effect	Roy, Ram Kinkar
2020	A New Aggregation Induced Emission Active Halochromic White Light Emissive Molecule: Combined Experimental and Theoretical Study	Chowdhury, Rajdeep; Laskar, Inamur Rahaman; Roy, Ram Kinkar
2015-07-17	nteraction between Small Gold Clusters and Nucleobases: A Density Functional Reactivity Theory Based Study	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
1999-04-22	On non-negativity of Fukui function indices	Roy, Ram Kinkar
2012-02-06	On the complementarity of comprehensive decomposition analysis of stabilization energy (CDASE) – Scheme and supermolecular approach	Roy, Ram Kinkar
2004	On the Reliability of Global and Local Electrophilicity Descriptors	Roy, Ram Kinkar
2014	On the trends of Fukui potential and hardness potential derivatives in isolated atoms vs. atoms in molecules	Roy, Ram Kinkar
2017-07-21	“One-into-Many” Model: An Approach on DFT Based Reactivity Descriptor to Predict the Regioselectivity of Large Systems	Roy, Ram Kinkar
2003-08-06	ONIOM Studies of Chemical Reactions on Carbon Nanotube Tips: Effects of the Lower Theoretical Level and Mutual Orientation of the Reactants	Roy, Ram Kinkar
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

Showing results 28 to 47 of 56 < previous next >