Designing New Frustrated Lewis Pair for Small Molecule Activation
Completed
Agency: Department of Science and TechnologyRole: Principal InvestigatorGrant: CRG/2019/001125
Insights into the mechanism of chemical reactions: A conceptual density functional and ab-initio molecular dynamics study
Other
Agency: Department of Science and TechnologyRole: Principal InvestigatorGrant: sb/ft/cs-002/2014
Theoretical Investigation on Magnetic All Metal and Organo-Zintl Clusters
Other
Agency: Department of Science and TechnologyRole: Principal InvestigatorGrant: IFA14-CH-151
In Silico Studies of Functionalized Aromatic Heterocyclic and Zintl ion Based Super-Atom/Alkali/Halogen
UniversityNIT Rourkela
Year2020
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COMBINED DENSITY FUNCTIONAL THEORY AND MOLECULAR DYNAMICS STUDY ON THE DESIGN AND APPLICATION OF SUPER-ALKALI/HALOGEN AND ANALYSIS OF REACTION MECHANISM
UniversityNIT Rourkela
Year2022
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AB-INITIO INVESTIGATION ON THE STABILITY, REACTIVITY AND AROMATICITY OF COINAGE METALCARBENE, SILYLENE AND GERMYLENE COMPLEXES
UniversityCooch Behar Panchanan Barma University
Year2025
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Computational Design of FLPs (Frustrated Lewis Pairs) for the Activation of Small Molecules
UniversityMaulana Abul Kalam Azad University of Technology, West Bengal
Year2025
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LI@ORGANIC BORON DOPED SUPERHALOGEN ELECTROLYTES
Santanab Giri
-
Application No. :
202431063237 A
Filed :
21-08-2024
Modeling ecotoxicity as applied to some selected aromatic compounds: A conceptual DFT based quantitative-structure-toxicity-relationship (QSTR) analysis