Affiliation:
1. Amrit Campus, Tribhuvan University
Abstract
Abstract
Water and hydrogen sulfide dimers have been studied with several different density functional theory (DFT) methods using a 6-311 + + G(d, p) basis set. Geometries, energies, and QTAIM parameters were computed for different functionals and the values were compared with other ab initio and experimental results available in the literature.
Publisher
Research Square Platform LLC
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