Molecular electrostatic potential (MEP) maps of the title compounds

Molbank, Free Full-Text

Synthesis and spectral characterization of 4-methylthiazole derivatives: DFT approach and biological activities - New Journal of Chemistry (RSC Publishing) DOI:10.1039/D3NJ03046F

Molecular electrostatic potential (MEP) map calculated at

The Investigation of Spectral and Theoretical Properties of 2-(3-Cyclopropyl-4,5-dihydro-1H-1,2,4-triazol-5-on-4-yl-iminomethyl) Benzoic Acid by Using B3LYP/HF 6-31g (d,p) Basis Set

Molecular electrostatic potential (MEP) map calculated at 6-311 þþ

Synthesis, structural characterizations, in vitro biological evaluation and computational investigations of pyrazole derivatives as potential antidiabetic and antioxidant agents

Molecular electrostatic potential — DIRAC 18.alpha documentation

Full article: Synthesis, crystal structure and DFT study of 2-(3-bromophenyl)-1-(4-morpholinyl)ethanone

Synthesis, FT-IR, structural, thermochemical, electronic absorption spectral, and NLO analysis of the novel 10-methoxy-10 H -furo[3,2- g ]chromeno[2,3 - RSC Advances (RSC Publishing) DOI:10.1039/D1RA06134H

Molecular Electrostatic Potential and Chemometric Techniques as Tools to Design Bioactive Compounds

IUCr) Molecular and crystal structure, Hirshfeld analysis and DFT investigation of 5-(furan-2-ylmethylidene)thiazolo[3,4-a]benzimidazole-2-thione

Molecules, Free Full-Text

Molecular electrostatic potential (MEP) surface of 4-MAPS obtained from

01.05 Electrostatic Potential Maps, Dipole Moments, and Partial Charges