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Symmetry-adapted perturbation theory calculation of the He-HF intermolecular potential energy surfaces

机译：He-HF分子间势能面的对称自适应扰动理论计算

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Moszynski R.; Wormer P.E.S.; Jeziorski B.; Avoird A. van der;
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年度 1994
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正文语种 en
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1. Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations [J] . Alston J.Misquitta, Rafat Podeszwa, Bogumil Jeziorski, The Journal of Chemical Physics . 2005,第21期

机译：基于随时间变化的密度泛函计算的具有分散能量的对称扰动理论的分子间电势
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机译：基于随时间变化的密度泛函计算的具有分散能量的对称扰动理论的分子间电势
3. Comparison of the Effective Fragment Potential Method with Symmetry-Adapted Perturbation Theory in the Calculation of Intermolecular Energies for Ionic Liquids [J] . Tan Samuel Y. S., Izgorodina Ekaterina I. Journal of chemical theory and computation: JCTC . 2016,第6期

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4. Theories for Predicting Reversible Potentials of Reactions on Electrode Surfaces from Internal and Gibbs Energies: Applications to ORR [C] . Alfred B. Anderson Progress in spectro-electrochemistry and surface science of electrocatalytical interfaces (In memory of E.B. Yeager) . 2010

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5. Probing the Adsorption Behavior of 4,5-Diazafluoren-9-one and Its Schiff Base Derivatives on SIlver and Gold Nanosurfaces Using Raman Spectroscopy, Density Functional Theory and Potential Energy Distribution Calculations. [D] . McCoy, Rhonda Patrice. 2012

机译：使用拉曼光谱，密度泛函理论和势能分布计算，探讨4，5-二氮杂芴-9-一及其席夫碱衍生物在银和金纳米表面上的吸附行为。
6. Block-Localized Density Functional Theory (BLDFT) Diabatic Coupling and Their Use in Valence Bond Theory for Representing Reactive Potential Energy Surfaces [O] . Alessandro Cembran, Lingchun Song, Yirong Mo, -1

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7. Near-infrared spectrum and rotational predissociation dynamics of the He-HF complex from an ab initio symmetry-adapted perturbation theory potential [O] . Moszynski R., Jeziorski B., Avoird A. van der, 1994

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8. Machine Learning Intermolecular Potentials for 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB) Using Symmetry-Adapted Perturbation Theory. [R] . Taylor, D. E. 2018

机译：利用对称适应微扰理论研究1,3,5-三氨基-2,4,6-三硝基苯（TaTB）的分子间电位。

Symmetry-adapted perturbation theory calculation of the He-HF intermolecular potential energy surfaces

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