Novel Computational Chemistry Infrastructure for Simulating Astatide in Water: From Basis Sets to Force Fields Using Particle Swarm Optimization
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Title
Novel Computational Chemistry Infrastructure for Simulating Astatide in Water: From Basis Sets to Force Fields Using Particle Swarm Optimization
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume -, Issue -, Pages -
Publisher
American Chemical Society (ACS)
Online
2023-11-03
DOI
10.1021/acs.jctc.3c00826
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