Good Vibrations: Calculating Excited-State Frequencies Using Ground-State Self-Consistent Field Models-Reference-Cited by-同舟云学术

Good Vibrations: Calculating Excited-State Frequencies Using Ground-State Self-Consistent Field Models

Published:2022-11-29 Issue:12 Volume:18 Page:7286-7297
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Abou Taka Ali¹²,Corzo Hector H.¹³,Pribram−Jones Aurora¹,Hratchian Hrant P.¹^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry and Center for Chemical Computation and Theory, University of California, Merced, California95343, United States

2. Combustion Research Facility, Sandia National Laboratories, Livermore, California94550, United States

3. National Center for Computational Sciences, Oak Ridge Leadership Computing Facility, Oak Ridge National laboratory, Oak Ridge, Tennessee37831-6012, United States

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00672

Reference124 articles.

1. Photochemistry in excited states of van der Waals complexes

2. The very early events following photoexcitation of carotenoids

3. Excited states of metal-metal bonded diimine complexes vary from extremely long lived to very reactive with formation of radicals or zwitterions

4. PHOTOCHEMISTRY and PHOTOBIOLOGY WITHOUT LIGHT

5. Excited states and electron transfer reactions of fullerenes

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