Frozen-Density Embedding Potentials and Chiroptical Properties-Reference-Cited by-同舟云学术

Frozen-Density Embedding Potentials and Chiroptical Properties

Published:2015-10-20 Issue:11 Volume:11 Page:5305-5315
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Crawford T. Daniel¹,Kumar Ashutosh¹,Hannon Kevin P.¹,Höfener Sebastian²,Visscher Lucas³

Affiliation:

1. Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States

2. Institut für Physikalische Chemie, Karlsruher Institut für Technologie, D-76131 Karlsruhe, Germany

3. Amsterdam Center for Multiscale Modeling, VU University Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands

Funder

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00845

Reference91 articles.

1. Molecular Light Scattering and Optical Activity

2. The Ab Initio Calculation of Optical Rotation and Electronic Circular Dichroism

3. Ab initio calculation of molecular chiroptical properties

4. The Current State of Ab Initio Calculations of Optical Rotation and Electronic Circular Dichroism Spectra

5. Crawford, T. D.InComprehensive Chiroptical Spectroscopy;Berova, N.; Nakanishi, K.; Woody, R. W.; Polavarapu, P., Eds.Wiley:Hoboken, NJ, 2012; Vol.1; Chapter 23, pp675–697.

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