Author:
Badenhoop J. K.,Weinhold F.
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Cited by
277 articles.
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1. Molecular structure properties, quantum computational, electronic, charge analyses and biological (drug-likeness and docking) studies on anti-inflammatory drug molecule of Balsalazide;Chemical Physics Impact;2024-06
2. Utilizing the IEFPCM examination on 4-Carboxy Acetanilide Benzoic acid, molecular docking molecular structure, electronic, structural and topological investigations were performed using solvents (water, benzene, acetone, and DMSO);Journal of Molecular Liquids;2024-01
3. Natural Bond Orbital Analysis of Chemical Structure, Spectroscopy, and Reactivity: How it Works;Comprehensive Computational Chemistry;2024
4. Crystal growth, vibrational, optical, computational, photoluminescence and SHG analyses of lithium l-ascorbate dihydrate crystal;Journal of Materials Research;2023-10-24
5. A theoretical study for spin-dependent hydrogen abstraction by non-heme FeIVO complexes based on DFT potential energy surfaces;Theoretical Chemistry Accounts;2023-10-24