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Paper
A new H3 potential energy surface and its implications for chemical reaction
Abstract
A new H3 potential energy hypersurface for arbitrary nuclear arrangements is generated from Liu's very accurate (≈0.3 kcal/mole error) collinear ab initio calculation and compared with other general geometry surfaces. Preliminary classical trajectory calculations on the new hypersurface are presented and compared with results on the Porter-Karplus surface. © 1974.