Výsledky vyhledávání - "Rajendiran Thanappan Vinayagam"

Theoretical and experimental studies of vibrational spectra and thermodynamical analysis of 3′-bromopropiophenone and 4′-bromo-3-chloropropiophenone

Autor: Rajendiran Thanappan Vinayagam, Seshadri Srinivasan, Gunasekaran Sethu, Udhayakala Pandian

Publikováno v: Journal of Molecular Modeling. 17:1587-1598

Quantum chemical calculations of molecular geometries, vibrational wavenumbers and thermodynamical properties of 3'-bromopropiophenone and 4'-bromo-3-chloropropiophenone were carried out using Hartree-Fock (HF) and density functional theory (DFT) usi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::71b3f98a533c57385b835c265f695c86
https://doi.org/10.1007/s00894-010-0863-9

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