A new approach for finding a transition state connecting a reactant and a product without initial guess: applications of the scaled hypersphere search method to isomerization reactions of HCN, (H2O)2, and alanine dipeptide
A new approach for finding a transition state connecting a reactant and a product without initial guess: applications of the scaled hypersphere search method to isomerization reactions of HCN, (H2O)2, and alanine dipeptide
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DOI:
10.1016/j.cplett.2005.01.068
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发表时间:
2005-03
影响因子:
2.8
通讯作者:
S. Maeda;K. Ohno
中科院分区:
文献类型:
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作者:
S. Maeda;K. Ohno