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

Issue Date	Title	Author(s)
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
2017	The charge transfer limit of a chemical adduct: the role of perturbation on external potential	Roy, Ram Kinkar
2018	Exploring the hidden potential of a benzothiazole-based Schiff-base exhibiting AIE and ESIPT and its activity in pH sensing, intracellular imaging and ultrasensitive & selective detection of aluminium	Roy, Ram Kinkar; Chowdhury, Rajdeep; Laskar, Inamur Rahaman
2019-03-02	Solvent effect on stabilization energy: An approach based on density functional reactivity theory	Roy, Ram Kinkar
2020-01-21	Correlation between Equilibrium Constant and Stabilization Energy: A Combined Approach Based on Chemical Thermodynamics, Statistical Thermodynamics, and Density Functional Reactivity Theory	Roy, Ram Kinkar
2020	Validation of Hammett’s Linear Free Energy Relationship Through an Unconventional Approach	Roy, Ram Kinkar