Chemical Assignment of Symmetry-Adapted Perturbation Theory Interaction Energy Components: The Functional-Group SAPT Partition-Reference-Cited by-同舟云学术

Chemical Assignment of Symmetry-Adapted Perturbation Theory Interaction Energy Components: The Functional-Group SAPT Partition

Published:2014-09-23 Issue:10 Volume:10 Page:4417-4431
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Parrish Robert M.¹,Parker Trent M.¹,Sherrill C. David¹

Affiliation:

1. Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United States

Funder

Division of Chemistry

Krell Institute, Office of Science

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct500724p

Reference71 articles.

1. The nature of .pi.-.pi. interactions

2. Polar/.pi. interactions between stacked aryls in 1,8-diarylnaphthalenes

3. Unexpected Substituent Effects in Face-to-Face π-Stacking Interactions

4. Substituent Effects in π−π Interactions: Sandwich and T-Shaped Configurations

5. The Effect of Multiple Substituents on Sandwich and T-Shaped π–π Interactions

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