Calibrating Reaction Enthalpies: Use of Density Functional Theory and the Correlation Consistent Composite Approach in the Design of Photochromic Materials-Reference-Cited by-同舟云学术

Calibrating Reaction Enthalpies: Use of Density Functional Theory and the Correlation Consistent Composite Approach in the Design of Photochromic Materials

Published:2016-12-12 Issue:50 Volume:120 Page:9982-9997
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Letterman Roger G.¹,DeYonker Nathan J.¹,Burkey Theodore J.¹,Webster Charles Edwin¹²^ORCID

Affiliation:

1. Department of Chemistry and Computational Research on Materials Institute, The University of Memphis, Memphis, Tennessee 38152, United States

2. Department of Chemistry and Center for Computational Sciences, Mississippi State University, Mississippi State, Mississippi 39762-9573, United States

Funder

Division of Chemistry

Office of Integrative Activities

Office of Research and Economic Development, Mississippi State University

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b09278

Reference156 articles.

1. Photochemistry of Chromium Arene Tricarbonyl Complexes with Tethered Pyridinyl and Propenyl Groups: Investigations of the Effect of Ring Size on Chelate Formation, Structure, and Linkage Isomerization