Articles with "analysis aminoborane" as a keyword



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Quantum chemical rovibrational analysis of aminoborane and its isotopologues

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Published in 2022 at "Journal of Computational Chemistry"

DOI: 10.1002/jcc.26893

Abstract: Aminoborane, H2NBH2 and its isotopologues, H2N10BH2, D2NBD2, and D2N10BD2, have been studied by high‐level ab initio methods. All calculations rely on multidimensional potential energy surfaces and dipole moment surfaces including high‐order mode coupling terms, which… read more here.

Keywords: chemical rovibrational; rovibrational analysis; aminoborane; analysis aminoborane ... See more keywords