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Importance of electron correlation effects and basis set superposition error in calculations of interaction energies and interaction-induced electric properties in hydrogen-bonded complexes: a model study

机译：氢键配合物中相互作用能和相互作用诱导电性能计算中电子相关效应和基组叠加误差的重要性：模型研究

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Angelika Baranowska; Berta Fernández; Andrzej J. Sadlej;
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年度 2010
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1. Importance of electron correlation effects and basis set superposition error in calculations of interaction energies and interaction-induced electric properties In hydrogen-bonded complexes: a model study [J] . Angelika Baranowska, Berta Fernandez, Andrzej J. Sadlej Theoretical chemistry accounts . 2011,第4a6期

机译：氢键配合物中相互作用能和相互作用感应电性能计算中电子相关效应和基组叠加误差的重要性：模型研究
2. Importance of electron correlation effects and basis set superposition error in calculations of interaction energies and interaction-induced electric properties in hydrogen-bonded complexes: a model study [J] . Angelika Baranowska, Berta Fernández, Andrzej J. Sadlej Theoretical Chemistry Accounts . 2011,第4a6期

机译：氢键配合物中相互作用能和相互作用诱导电性能计算中电子相关效应和基组叠加误差的重要性：模型研究
3. On the basis set superposition error in supermolecular calculations of Interaction-Induced electric properties: many-body components [J] . Bartlomiej Skwara, Wojciech Bartkowiak, Daniel Luiz Da Silva Theoretical chemistry accounts . 2009,第3a4期

机译：相互作用感应电特性的超分子计算中的基集叠加误差：多体成分
4. DFT Calculation of interaction energies in model Alanine and Valine using different Basis sets [C] . Jyoti Singh, Subhash C. Singh Nanotechnology 2009 : Technical proceedings . 2009

机译：使用不同基础集的DFT计算模型丙氨酸和缬氨酸中的相互作用能
5. Ligand electronic effects in dimetal complexes: Developments toward low ionization energies and correlations with solution properties. [D] . Van Dorn, Laura Olivia. 2004

机译：双金属络合物中的配体电子效应：向低电离能发展并与溶液性质相关。
6. Communication: A novel implementation to compute MP2 correlation energies without basis set superposition errors and complete basis set extrapolation [O] . Anant Dixit, Julien Claudot, Sébastien Lebègue, -1

机译：通信：一种新颖的实现可计算MP2相关能量而无基集叠加误差和完整的基集外推
7. Communication: A novel implementation to compute MP2 correlation energies without basis set superposition errors and complete basis set extrapolation [O] . Anant Dixit, Julien Claudot, Sébastien Lebègue, 2017

机译：通信：一个小说以计算MP2相关性能而无需基于SECTORATION错误和完整的基础集外推

Importance of electron correlation effects and basis set superposition error in calculations of interaction energies and interaction-induced electric properties in hydrogen-bonded complexes: a model study

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