Modeling Electronic Circular Dichroism within the Polarizable Embedding Approach-Reference-Cited by-同舟云学术

Modeling Electronic Circular Dichroism within the Polarizable Embedding Approach

Published:2017-08-31 Issue:9 Volume:13 Page:4442-4451
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Nørby Morten S.¹^ORCID,Olsen Jógvan Magnus Haugaard¹,Steinmann Casper²^ORCID,Kongsted Jacob¹^ORCID

Affiliation:

1. Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, DK-5230 Odense M, Denmark

2. Department of Theoretical Chemistry, Lund University, Chemical Centre, P.O. Box 124, SE-221 00 Lund, Sweden

Funder

Det Frie Forskningsr?d

Natur og Univers, Det Frie Forskningsr?d

Villum Fonden

Carlsbergfondet

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00712

Reference96 articles.

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5. The Charge Transfer Problem in Density Functional Theory Calculations of Aqueously Solvated Molecules

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