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35 ta ish

Ish: Vibration Spectroscopy and Quantum-Chemical Calculation Analysis of In¬termolecular Interactions in Ortho-Xylene and Its Solutions with Dimethyl Sulfoxide

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  6. Molecular structure, vibrational spectral assignments, MEP, HOMO-LUMO, AIM, NCI, RDG, ELF, LOL properties of acetophenone and for its solutions based on DFT calculations

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  7. Formation of Hydrogen Bonds and Vibrational Processes in Dimethyl Sulfoxide and Its Aqueous Solutions: Raman Spectroscopy and Ab Initio Calculations

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  10. Vibrational Spectra and Computational Study of Amyl Acetate: MEP, AIM, RDG, NCI, ELF and LOL Analysis

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  11. Raman and DFT study of non-covalent interactions in liquid benzophenone and its solutions

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  12. Tuning the Computational Evaluation of Spectroscopic, ELF, LOL, NCI analysis and Molecular Docking of Novel Anti COVID-19 Molecule 4-Dimethylamino Pyridinium 3, 5-Dichlorosalicylate

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  15. Investigation of intermolecular interactions in butyl acetate using vibrational spectroscopy and non-empirical calculations

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  16. Hydration effects on molecular structure, vibrational, electronic properties, drug-likeness analysis, molecular docking, and molecular dynamics studies of (Z)-3-(2-oxo-2-phenylethylidene)indolin-2-one

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  18. Improved assignments of the vibrational fundamental modes of ortho-, meta-, and para-xylene using gas- and liquid-phase infrared and Raman spectra combined with ab initio calculations: Quantitative gas-phase infrared spectra for detection

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  22. Insights into Amyl Acetate–Chloroform Interactions: Vibrational Spectroscopy and Quantum Topology Study

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