A New Molecular-Mechanics Model for Simulations of Hydrogen Fluoride in Chemistry and Biology.
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DOI: 10.1021/acs.jctc.0c00247
Abstract: Hydrogen fluoride (HF) is the most polar diatomic molecule and one of the simplest molecules capable of hydrogen-bonding. HF deviates from ideality both in the gas phase and in solution, and is thus of great… read more here.
Keywords: molecular mechanics; chemistry; mechanics model; biology ... See more keywords