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Issue Date	Title	Author(s)
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
2015-09	Negativity of Fukui function of some isolated s and p block elements: The role of orbital relaxation effect	Roy, Ram Kinkar
2014-03	Study on photophysical properties and prototropic equilibria of trans-2-[4-(N,N-dimethylaminostyryl)]pyridine	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