A Theoretical Study on the Dynamics of O(3P) + H2S(1A1) Reaction on an Interpolated Potential Energy Surface
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DOI: 10.1246/bcsj.20170107
Abstract: Quasi-classical trajectory calculations at the DFT level and CVT calculations at the CCSD(T) level are performed to study the dynamics of O(3P) + H2S(1A1) reaction on the lowest triplet potential energy surface. In the dynamics… read more here.
Keywords: potential energy; dynamics h2s; energy surface; energy ... See more keywords