The Fragment Molecular Orbital Method Based on Long-Range Corrected Density-Functional Tight-Binding-Reference-Cited by-同舟云学术

The Fragment Molecular Orbital Method Based on Long-Range Corrected Density-Functional Tight-Binding

Published:2019-04-18 Issue:5 Volume:15 Page:3008-3020
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Vuong Van Quan¹^ORCID,Nishimoto Yoshio²^ORCID,Fedorov Dmitri G.³^ORCID,Sumpter Bobby G.⁴^ORCID,Niehaus Thomas A.⁵^ORCID,Irle Stephan¹⁴⁶^ORCID

Affiliation:

1. Bredesen Center for Interdisciplinary Research and Graduate Education, University of Tennessee, Knoxville, Tennessee 37996, United States

2. Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto 606-8501, Japan

3. Research Center for Computational Design of Advanced Functional Materials (CD-FMat), National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8568, Japan

4. Center for Nanophase Materials Sciences and Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States

5. Univ Lyon, Université Claude Bernard Lyon 1, CNRS, Institut Lumière Matière, F-69622 Villeurbanne, France

6. Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States

Funder

Oak Ridge National Laboratory

Basic Energy Sciences

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00108