Novel Computational Chemistry Infrastructure for Simulating Astatide in Water: From Basis Sets to Force Fields Using Particle Swarm Optimization-Reference-Cited by-同舟云学术

Novel Computational Chemistry Infrastructure for Simulating Astatide in Water: From Basis Sets to Force Fields Using Particle Swarm Optimization

Published:2023-11-02 Issue:22 Volume:19 Page:7998-8012
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Rueda Espinosa Kennet J.¹,Kananenka Alexei A.¹,Rusakov Alexander A.²^ORCID

Affiliation:

1. Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716, United States

2. Department of Chemistry, Oakland University, Rochester, Michigan 48309, United States

Funder

Universidad Nacional de Colombia

National Institutes of Health

Oakland University

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00826

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5. Advances in the Chemistry of Astatine and Implications for the Development of Radiopharmaceuticals

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