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Browsing by Author Roy, Ram Kinkar

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Issue Date	Title	Author(s)
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
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

Showing results 34 to 53 of 56 < previous next >