Potential energy surfaces for aminoborane and its isotopologues
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https://zenodo.org/record/6475420
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资源简介：
Molpro restart files (ASCII compressed) for the XSURF program of the potential energy surfaces for aminoborane, H2NBH2, and its isotopologues. Vibrational structure calculations based on these surfaces are reported in "Quantum chemical rovibrational analysis of aminoborane and its isotopologues" (https://doi.org/10.1002/jcc.26893).
创建时间：
2022-10-06
