Concepedia

Solvents performance, experimental spectral energies interactions, excitations energies, topological and electrophilic molecular interaction studies on 4?-(bromomethyl)-[1,1?-biphenyl]-2-carbonitrile- antiphobic disorder agent

G. Kanimozhi, S. Tamilselvan, Krishna Murthy Potla, J.N. Cheerlin Mishma, Feride Akman, M. Vimalan, Naiyf S. Alharbi, Ghulam Abbas, S. Muthu

Journal of Molecular Liquids · 2023 · 14 citations · 34 references

DOI

References

34

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Classification of chemical bonds based on topological analysis of electron localization functions

Bernard Silvi, Andreas Savin · Nature · 1994 · 4.2K citations

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Density-functional thermochemistry. I. The effect of the exchange-only gradient correction

Axel D. Becke · The Journal of Chemical Physics · 1992 · 3.8K citations

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The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level

J. Tomasi, Benedetta Mennucci, Éric Cancès · Journal of Molecular Structure THEOCHEM · 1999 · 2.5K citations

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Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource

Dmitry Filimonov, Alexey A. Lagunin, Tatyana A. Gloriozova et al. · Chemistry of Heterocyclic Compounds · 2014 · 1.2K citations

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