Optical Rotation Predictions for Rigid Chiral Solute-Achiral Solvent 1:1 Complexes with the PCM Model-Reference-Cited by-同舟云学术

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Optical Rotation Predictions for Rigid Chiral Solute-Achiral Solvent 1:1 Complexes with the PCM Model

Published:2024-08 Issue: Volume:1238 Page:114705
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Heo Jiyoung^ORCID

Funder

Sangmyung University

Publisher

Elsevier BV

Reference29 articles.

1. Determination of the Absolute Configurations of Chiral Alkanes – An Analysis of the Available Tools;Saito;Eur. J. Org. Chem.,2020

2. The Effect of Solvents on the Optical Rotation of Propylene Oxide;Kumata;Bull. Chem. Soc. Jpn.,1970

3. Induced Chirality in Achiral Media—How Theory Unravels Mysterious Solvent Effects;Neugebauer;Angew. Chem. Int. Ed.,2007

4. Calculation of Optical Rotation Using Density Functional Theory;Stephens;J. Phys. Chem. A,2001

5. Chiroptical properties from time-dependent density functional theory. II. Optical rotations of small to medium sized organic molecules;Autschbach;J. Chem. Phys.,2002

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