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Chemistry, an Asian Journal
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February 16, 2025
Investigation of Aggregation Induced Emission Mechanism of Tetrabenzoheptafulvalene Derivative by Spin-Flip Time-Dependent Density Functional Theory (SF-TDDFT)
Aarzoo, Ram Kinkar Roy
ACS Omega
|
November 10, 2025
Investigation of Aggregation-Induced Emission Mechanism of a Styrene Derivative: A Theoretical Unraveling of S<sub>1</sub>/S<sub>0</sub>‑Conical Intersection
Aarzoo, Ram Kinkar Roy
The Journal of Physical Chemistry. A
|
July 8, 2025
Bimolecular Quenching Rate of Electron Transfer Reactions from Aromatic Amines to Coumarin Dyes: A Conceptual Density Functional Theory-Based Approach
Meenu, Ram Kinkar Roy
The Journal of Physical Chemistry. A
|
October 3, 2013
Relative contribution of combined kinetic and exchange energy terms vs the electronic component of molecular electrostatic potential in hardness potential derivatives
Rituparna Bhattacharjee, Ram Kinkar Roy
The Journal of Physical Chemistry. A
|
May 29, 2020
Validation of Hammett's Linear Free Energy Relationship Through an Unconventional Approach
Aabid Hamid, Ram Kinkar Roy
The Journal of Physical Chemistry. A
|
December 18, 2007
Correlation of global electrophilicity with the activation energy in single-step concerted reactions
Priyanka Bagaria, Ram Kinkar Roy
The Journal of Physical Chemistry. A
|
January 22, 2020
Correlation between Equilibrium Constant and Stabilization Energy: A Combined Approach Based on Chemical Thermodynamics, Statistical Thermodynamics, and Density Functional Reactivity Theory
Aabid Hamid, Ram Kinkar Roy
Physical Chemistry Chemical Physics : PCCP
|
October 29, 2008
N-dependence problem of local hardness parameter
Soumen Saha, Ram Kinkar Roy
The Journal of Physical Chemistry. B
|
July 31, 2007
"One-into-many" model: an approach on DFT based reactivity descriptor to predict the regioselectivity of large systems
Soumen Saha, Ram Kinkar Roy
Physical Chemistry Chemical Physics : PCCP
|
September 16, 2014
On the trends of Fukui potential and hardness potential derivatives in isolated atoms vs. atoms in molecules
Rituparna Bhattacharjee, Ram Kinkar Roy
Page
of 3
Search research articles
Search
Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
Chemistry, an Asian Journal
|
February 16, 2025
Investigation of Aggregation Induced Emission Mechanism of Tetrabenzoheptafulvalene Derivative by Spin-Flip Time-Dependent Density Functional Theory (SF-TDDFT)
Aarzoo, Ram Kinkar Roy
ACS Omega
|
November 10, 2025
Investigation of Aggregation-Induced Emission Mechanism of a Styrene Derivative: A Theoretical Unraveling of S<sub>1</sub>/S<sub>0</sub>‑Conical Intersection
Aarzoo, Ram Kinkar Roy
The Journal of Physical Chemistry. A
|
July 8, 2025
Bimolecular Quenching Rate of Electron Transfer Reactions from Aromatic Amines to Coumarin Dyes: A Conceptual Density Functional Theory-Based Approach
Meenu, Ram Kinkar Roy
The Journal of Physical Chemistry. A
|
October 3, 2013
Relative contribution of combined kinetic and exchange energy terms vs the electronic component of molecular electrostatic potential in hardness potential derivatives
Rituparna Bhattacharjee, Ram Kinkar Roy
The Journal of Physical Chemistry. A
|
May 29, 2020
Validation of Hammett's Linear Free Energy Relationship Through an Unconventional Approach
Aabid Hamid, Ram Kinkar Roy
The Journal of Physical Chemistry. A
|
December 18, 2007
Correlation of global electrophilicity with the activation energy in single-step concerted reactions
Priyanka Bagaria, Ram Kinkar Roy
The Journal of Physical Chemistry. A
|
January 22, 2020
Correlation between Equilibrium Constant and Stabilization Energy: A Combined Approach Based on Chemical Thermodynamics, Statistical Thermodynamics, and Density Functional Reactivity Theory
Aabid Hamid, Ram Kinkar Roy
Physical Chemistry Chemical Physics : PCCP
|
October 29, 2008
N-dependence problem of local hardness parameter
Soumen Saha, Ram Kinkar Roy
The Journal of Physical Chemistry. B
|
July 31, 2007
"One-into-many" model: an approach on DFT based reactivity descriptor to predict the regioselectivity of large systems
Soumen Saha, Ram Kinkar Roy
Physical Chemistry Chemical Physics : PCCP
|
September 16, 2014
On the trends of Fukui potential and hardness potential derivatives in isolated atoms vs. atoms in molecules
Rituparna Bhattacharjee, Ram Kinkar Roy
Page
of 3