Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition-Reference-Cited by-同舟云学术

Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition

Published:2014-07-28 Issue:4 Volume:141 Page:044115
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Parrish Robert 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, USA

Funder

National Science Foundation (NSF)

U.S. Department of Energy (DOE)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4889855

Reference121 articles.

1. Nature of Intercalator Amiloride−Nucelobase Stacking. An Empirical Potential and ab Initio Electron Correlation Study

2. SCC-DFTB-D study of intercalating carcinogens: Benzo(a)pyrene and its metabolites complexed with the G-C base pair

3. Physical Nature of Ethidium and Proflavine Interactions with Nucleic Acid Bases in the Intercalation Plane

4. Predicting Absolute Ligand Binding Free Energies to a Simple Model Site

5. Local electron correlation descriptions of the intermolecular stacking interactions between aromatic intercalators and nucleic acids

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