Computational examination on monomeric, dimeric, trimeric structural and vibrational interactions, AIM, Hirshfeld, IGM and oxygenated solvent effect on optical properties for pyridine N-oxide
Author:
Funder
King Khalid University
Deanship of Scientific Research, King Faisal University
Publisher
Elsevier BV
Subject
Electrochemistry,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Drug Discovery
Reference43 articles.
1. Intermolecular hydrogen bond interactions in the thiourea/water complexes (Thio-(H2O)n) (n = 1, …, 5): X-ray, DFT, NBO, AIM, and RDG analyses
2. Spectroscopic and molecular structure investigation of 2-furanacrylic acid monomer and dimer using HF and DFT methods
3. Searching potential antiviral candidates for the treatment of the 2019 novel coronavirus based on DFT calculations and molecular docking
4. Intermolecular Interactions of Pyridine in Liquid Phase and Aqueous Solution Studied by Soft X-ray Absorption Spectroscopy
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