From ab initio quantum chemistry to molecular dynamics: The delicate case of hydrogen bonding in ammonia
Author:
Affiliation:
1. Department of Organic Chemistry, Weizmann Institute of Science, 76100 Reh_ovot, Israel
2. Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum, Germany
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
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