Dr Ram Kinkar Roy
vidwan id: 227831
Senior Professor, Department of Chemistry
Birla Institute of Technology and Science
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- Applied Chemistry
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27
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2661
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26
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Bio
Conceptual development of DFT-based reactivity descriptors Local reactivity studies of chemical and biological systems Theoretical studies on charge redistribution in ionic systems Extension of CDASE Scheme and its applications
Personal Details
- Male
- Senior Professor , Birla Institute of Technology and Science
- Birla Institute of Technology and Science, Pilani, Vidya Vihar
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Co-Authors (15)
North Eastern Hill University
Vellore Institute of Technology, Vellore
Birla Institute of Technology and Science
Indian Institute of Technology Guwahati
Birla Institute of Technology and Science
Birla Institute of Technology and Science
CSIR National Chemical Laboratory
Kalyani University
CSIR National Chemical Laboratory
Birla Institute of Technology and Science
Indian Institute of Technology Guwahati
Birla Institute of Technology and Science
Cotton University, Guwahati
N/A
Birla Institute of Technology and Science
Scholarly Work
Investigating the Correlation Between Thermodynamic and Kinetic Parameters Through Density Functional Reactivity Theory (DFRT) Based Approach
Funding Agency: Department of Science and Technology, Govt. of India
2020 - Ongoing
Development and application of density functional reactivity theory based modeling techniques to understand the energetics of reactive and non-reactive interactions
Funding Agency: Department of Science and Technology, Govt. of India
2014 - Ongoing
Conceptual Density Functional Theory Based Modeling of Biomolecular Systems
Funding Agency: Department of Science and Technology, Govt. of India
2009 - Ongoing
Development of New Methodology Using Density Functional Theory (DFT) Based Reactivity Descriptors to Predict the Regioselectivity of Large Chemical and Biological System
Funding Agency: Department of Science and Technology, Govt. of India
2005 - Ongoing
Density functional theory based studies of reactivity descriptors to predict the regioselectivity of chemical and biological systems
Noval applications of conceptual density functional theory based descriptors in explaining chemical reactivity of organic reactions
Development and application of parameters based on chemical reactivity theory
Formal and conceptual development of density functional theory based reactivity descriptors and their applications to understand kinetic and thermodynamic aspects of a chemical reaction
Understanding the components of density functional reactivity theory (DFRT) based stabilization energy and related applications
Design, Syntheses and Study of Excited-state Properties of Aggregation Induced Emission Active Far-red/Near Infra-red Organic Emitters: A Combined Approach Based on Computational Modeling and Experiments
Metal Organic Framework MOF and Cellulose Acetate based Mixed Matrix Membranes for CO2 Separation from Model Biogas
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Scholarly Publications
Components of density functional reactivity theory-based stabilization energy: descriptors for thermodynamic and kinetic reactivity
Open AccessScreening the Band Shape of Molecules by Optimal Tuning of Range-Separated Hybrid Functional with TD-DFT: A Molecular Designing Approach
Open AccessDevelopment of a Multifunctional Aggregation-Induced Emission-Active White Light-Emissive Organic Sensor: A Combined Theoretical and Experimental Approach
Open AccessHammett constants from density functional calculations: charge transfer and perturbations
Open AccessCorrelation between Equilibrium Constant and Stabilization Energy: A Combined Approach Based on Chemical Thermodynamics, Statistical Thermodynamics, and Density Functional Reactivity Theory
Open AccessValidation of Hammett's Linear Free Energy Relationship through an Unconventional Approach
Open AccessA New Aggregation Induced Emission Active Halochromic White Light Emissive Molecule: Combined Experimental and Theoretical Study
Open AccessSolvent effect on stabilization energy: An approach based on density functional reactivity theory
Open Access
10.1002/qua.25909
11
10