Non-Covalent Interactions, Reactivity Analysis, Electronic Transition, Nlo by Quantum Computational Approach, and Molecular Docking Studies Of 2-Hydroxy-4-Hydrazinopyrimidine DOI

Alfind Paul Frit A,

R. Rajesh,

Tamizh Selvi K

et al.

Published: Jan. 1, 2024

Language: Английский

Non-covalent interactions, reactivity analysis, electronic transition, NLO by quantum computational approach, molecular docking, and molecular dynamics studies of 2-Hydroxy-4-hydrazinopyrimidine as an anticancer agent DOI

Alfind Paul Frit A,

R. Rajesh,

K. Selvi

et al.

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: 1337, P. 142234 - 142234

Published: April 8, 2025

Language: Английский

Citations

0
Electric field-induced modulation of VX nerve agent binding on h-BN nanotubes: a computational perspective DOI
Subrata Paul,

Nancy S Abisha,

Prakash Duraisamy

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Journal of Molecular Modeling, Journal Year: 2025, Volume and Issue: 31(5)

Published: April 14, 2025

Language: Английский

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Fluorescence switching sensor for sensitive detection of curcumin/Mn2+ using biomass carbon quantum dots: A combination of experimental and theoretical insights DOI
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Journal of environmental chemical engineering, Journal Year: 2024, Volume and Issue: 12(6), P. 114533 - 114533

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Language: Английский

Citations

2
Non-Covalent Interactions, Reactivity Analysis, Electronic Transition, Nlo by Quantum Computational Approach, and Molecular Docking Studies Of 2-Hydroxy-4-Hydrazinopyrimidine DOI

Alfind Paul Frit A,

R. Rajesh,

Tamizh Selvi K

et al.

Published: Jan. 1, 2024

Language: Английский

Citations

0