Validation of potential energy distribution by VEDA in vibrational assignment some of β-diketones; comparison of theoretical predictions and experimental vibration shifts upon deutration-Reference-Cited by-同舟云学术

Validation of potential energy distribution by VEDA in vibrational assignment some of β-diketones; comparison of theoretical predictions and experimental vibration shifts upon deutration

Published:2021-09 Issue: Volume:107 Page:107976
ISSN:1093-3263
Container-title:Journal of Molecular Graphics and Modelling
language:en
Short-container-title:Journal of Molecular Graphics and Modelling

Author:

Darugar Vahidreza,Vakili Mohammad^ORCID,Tayyari Sayyed Faramarz,Kamounah Fadhil S.

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference60 articles.

1. An ab initio study of the conformation and intramolecular proton transfer in the enol form of acetylacetone

2. Proton transfer in acetylacetone and its α-halo derivatives

3. Theoretical Study of the Enolic Forms of Acetylacetone. How Strong Is the Hydrogen Bond?

4. ?-Electron delocalisation for intramolecular resonance assisted hydrogen bonds

5. The Keto-Enol Equilibrium of Pentane-2,4-dione Studied by ab initio Methods

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