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Issue Date	Title	Author(s)
2010	Studies of regioselectivity of large molecular systems using DFT based reactivity descriptors	Roy, Ram Kinkar
2010	CDASE - A reliable scheme to explain the reactivity sequence between Diels–Alder pairs	Roy, Ram Kinkar
2012-02-06	On the complementarity of comprehensive decomposition analysis of stabilization energy (CDASE) – Scheme and supermolecular approach	Roy, Ram Kinkar
2012-11-23	Hardness potential derivatives and their relation to Fukui indices	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
2014-03	Study on photophysical properties and prototropic equilibria of trans-2-[4-(N,N-dimethylaminostyryl)]pyridine	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
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
2014-09-03	A density functional reactivity theory (DFRT) based approach to understand the interaction of cisplatin analogues with protecting agents	Roy, Ram Kinkar
2014-09	A density functional reactivity theory (DFRT) based approach to understand the interaction of cisplatin analogues with protecting agents	Roy, Ram Kinkar
2014	On the trends of Fukui potential and hardness potential derivatives in isolated atoms vs. atoms in molecules	Roy, Ram Kinkar
2015	Inter-ligand azo (N[double bond, length as m-dash]N) unit formation and stabilization of a Co(ii)-diradical complex via metal-to-ligand dπ–pπ* back donation: synthesis, characterization, and theoretical study	Roy, Ram Kinkar
2015	Interaction between Small Gold Clusters and Nucleobases: A Density Functional Reactivity Theory Based Study	Roy, Ram Kinkar
2015-07-17	nteraction between Small Gold Clusters and Nucleobases: A Density Functional Reactivity Theory Based Study	Roy, Ram Kinkar
2015	Highly Selective Detection of H+ and OH– with a Single-Emissive Iridium(III) Complex: A Mild Approach to Conversion of Non-AIEE to AIEE Complex	Roy, Ram Kinkar; Laskar, Inamur Rahaman
2016	Effect of Geometrical Distortion on the Electronic Structure: Synthesis and Characterization of Monoradical-Coordinated Mononuclear Cu(II) Complexes	Roy, Ram Kinkar
2016-06	A density functional reactivity theory (DFRT) based approach to understand the effect of symmetry of fullerenes on the kinetic, thermodynamic and structural aspects of carbon NanoBuds	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
2016	An elusive vinyl radical isolated as an appended unit in a five-coordinate Co(iii)–bis(iminobenzosemiquinone) complex formed via ligand-centered C–S bond cleavage	Roy, Ram Kinkar
2016	Encapsulation of multi-stimuli AIE active platinum(ii) complex: a facile and dry approach for luminescent mesoporous silica	Roy, Ram Kinkar; Laskar, Inamur Rahaman