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ID 118846
Author
Content Type
Journal Article
Description
A-values of 20 substituents were estimated by quantum chemistry calculations of different theoretical levels. Comparison with the reported experimental values provided a good benchmark to evaluate the theoretical levels for the conformational analysis of organic molecules.
Journal Title
RSC Advances
ISSN
20462069
Publisher
The Royal Society of Chemistry
Volume
13
Issue
51
Start Page
35904
End Page
35910
Published Date
2023-12-12
Rights
This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence (https://creativecommons.org/licenses/by-nc/3.0/).
EDB ID
DOI (Published Version)
URL ( Publisher's Version )
FullText File
language
eng
TextVersion
Publisher
departments
Pharmaceutical Sciences