Efficiency of numerical basis sets for predicting the binding energies of hydrogen bonded complexes: Evidence of small basis set superposition error compared to Gaussian basis sets 论文

2007Journal of Computational Chemistry引用 595
DOI
Advanced Chemical Physics StudiesCrystallography and molecular interactionsComputational Drug Discovery Methods
Computational Drug Discovery MethodsCrystallography and molecular interactionsAdvanced Chemical Physics Studies
相关技术:Computational Drug Discovery Methods
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Efficiency of numerical basis sets for predicting the binding energies of hydrogen bonded complexes: Evidence of small basis set superposition error compared to Gaussian basis sets · 相关文章

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