RENIN
发表于 2025-3-25 05:35:06
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前兆
发表于 2025-3-25 07:51:08
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飞镖
发表于 2025-3-25 13:32:11
Molecular Fine Structure,en these spin multiplets are often very sensitive to the details of the charge distribution, they provide a test of the zero-order wave functions that are used to calculate them.* We are, therefore, dealing with weak forces that have conspicious, measurable, and calculable effects.
开始发作
发表于 2025-3-25 16:40:47
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交响乐
发表于 2025-3-25 20:36:42
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裁决
发表于 2025-3-26 03:59:46
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原告
发表于 2025-3-26 05:05:38
,Hydrogen Bonding and Donor—Acceptor Interactions,properties of hydrogen-bonded complexes prior to experimental observation. Second, the . calculations have been the standard against which semiempirical MO calculations and model theories could be evaluated. Finally, these calculations have provided an important framework for understanding the chemi
责任
发表于 2025-3-26 12:01:50
Direct Use of the Gradient for Investigating Molecular Energy Surfaces,r fixed-nuclei approximation is sufficient: the nuclear motion takes place on an effective potential surface which is the sum of the electronic energy and the nuclear repulsion as a function of the nuclear coordinates. One of the main fields of quantum chemical activity is the study of these surface
POINT
发表于 2025-3-26 14:09:19
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FIN
发表于 2025-3-26 17:24:20
Strained Organic Molecules,els of limited application (e.g., .-electron theories for planar systems) to elaborate . models which include all electrons and are applicable to general molecular geometries.. Furthermore, the power of present generation computers means that these . techniques can now be feasibly applied to rather