Efficient Calculation of ROA Tensors with Analytical Gradients and Fragmentation-Reference-Cited by-同舟云学术

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Efficient Calculation of ROA Tensors with Analytical Gradients and Fragmentation

Published:2012-09-24 Issue:12 Volume:24 Page:1018-1030
ISSN:0899-0042
Container-title:Chirality
language:en
Short-container-title:Chirality

Author:

Thorvaldsen Andreas J.¹,Gao Bin¹,Ruud Kenneth¹,Fedorovsky Maxim²,Zuber Gérard²,Hug Werner²

Affiliation:

1. Centre for Theoretical and Computational Chemistry, Department of Chemistry; University of Tromsø; Tromsø Norway

2. Department of Chemistry; University of Fribourg; Fribourg Switzerland

Publisher

Wiley

Subject

Organic Chemistry,Spectroscopy,Drug Discovery,Pharmacology,Catalysis,Analytical Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/chir.22090/fullpdf

Reference90 articles.

1. Rayleigh and Raman scattering from optically active molecules;Barron;Mol Phys,1971

2. Raman Scattering of circularly polarized light by optically active molecules;Barron;J Am Chem Soc,1973

3. Raman circular intensity differential spectroscopy. Spectra of (−)-α-pinene and (+)-α-phenylethylamine;Hug;J Am Chem Soc,1975

4. Is the vibrational optical activity of (R)-[2H1, 2H2, 2H3]-neopentane measurable?;Hug;Int J Quant Chem.,2005

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2. Vibrational Raman optical activity of camphor: The importance of electric‐dipole—electric‐quadrupole polarizability contribution;Journal of Raman Spectroscopy;2020-01-26

3. Localized molecular orbitals for calculation and analysis of vibrational Raman optical activity;Physical Chemistry Chemical Physics;2018

4. Molecules-in-Molecules Fragment-Based Method for the Accurate Evaluation of Vibrational and Chiroptical Spectra for Large Molecules;Fragmentation;2017-10-12

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