The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces 论文

1992Journal of the American Chemical Society引用 945
DOI
Crystallography and molecular interactionsComputational Drug Discovery MethodsAnalytical Chemistry and Chromatography
Computational Drug Discovery MethodsAnalytical Chemistry and ChromatographyCrystallography and molecular interactions
相关技术:Computational Drug Discovery Methods
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The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces · 相关事件

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