Molecular Dynamics Investigation of the Bimolecular Reaction BeH + H2→ BeH2+ H on an ab Initio Potential-Energy Surface Obtained Using Neural Network Methods with Both Potential and Gradient Accuracy Determination

标题
Molecular Dynamics Investigation of the Bimolecular Reaction BeH + H2→ BeH2+ H on an ab Initio Potential-Energy Surface Obtained Using Neural Network Methods with Both Potential and Gradient Accuracy Determination
作者
关键词
-
出版物
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 114, Issue 1, Pages 45-53
出版商
American Chemical Society (ACS)
发表日期
2009-10-24
DOI
10.1021/jp907507z

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