Optical rotatory dispersion of methyloxirane in aqueous solution: assessing the performance of density functional theory in combination with a fully polarizable QM/MM/PCM approach-Reference-Cited by-同舟云学术

Optical rotatory dispersion of methyloxirane in aqueous solution: assessing the performance of density functional theory in combination with a fully polarizable QM/MM/PCM approach

Published:2014-12-23 Issue:1 Volume:5 Page:196
ISSN:2159-3930
Container-title:Optical Materials Express
language:en
Short-container-title:Opt. Mater. Express

Author:

Egidi Franco,Carnimeo Ivan,Cappelli Chiara

Funder

COST CMST

FIRB 2010-Futuro in Ricerca

MIUR PRIN2012

Publisher

The Optical Society

Subject

Electronic, Optical and Magnetic Materials

Reference62 articles.

1. Ab initio calculation of molecular chiroptical properties

2. Toward an Accurate Modeling of Optical Rotation for Solvated Systems: Anharmonic Vibrational Contributions Coupled to the Polarizable Continuum Model

3. Solvent Effect on Optical Rotation: A Case Study of Methyloxirane in Water

4. Solvation of Propylene Oxide in Water: Vibrational Circular Dichroism, Optical Rotation, and Computer Simulation Studies

5. Contribution of a Solute's Chiral Solvent Imprint to Optical Rotation

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