GLOOM
发表于 2025-3-23 12:12:51
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通情达理
发表于 2025-3-23 17:06:12
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无法治愈
发表于 2025-3-23 18:24:46
Post-SCF methods: Theory and Practice,practical point of view. Our objective here is to enable the organic chemist to make a sensible choice amongst the extensive standard software for the particular problem under consideration, given the accuracy/cost dilemmas involved. The choice between single and multi-reference methods at the SCF (
Presbyopia
发表于 2025-3-23 23:49:36
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micronutrients
发表于 2025-3-24 05:42:20
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暴发户
发表于 2025-3-24 07:42:20
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single
发表于 2025-3-24 13:59:21
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生命
发表于 2025-3-24 18:37:05
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智力高
发表于 2025-3-24 22:22:21
Anna Wziątek-Kubiak,Dariusz Winekn an empirical valence bond model in order to construct a .potential energy surface for polyatomic reactions. Two other topics that are discussed are a new way of handling zero point energy in a classical trajectory simulation of polyatomic dynamics and a new model for including tunneling effects in a trajectory simulation.
Cytology
发表于 2025-3-24 23:23:51
Some New Theoretical Methods for Treating Reaction Dynamics in Polyatomic Molecular Systems,n an empirical valence bond model in order to construct a .potential energy surface for polyatomic reactions. Two other topics that are discussed are a new way of handling zero point energy in a classical trajectory simulation of polyatomic dynamics and a new model for including tunneling effects in a trajectory simulation.