Ornament
发表于 2025-3-25 06:49:40
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Pcos971
发表于 2025-3-25 09:48:23
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江湖郎中
发表于 2025-3-25 12:39:46
https://doi.org/10.1007/978-3-658-33032-3y are areas in which computational quantum chemistry has so far had relatively little impact. This is certainly not because there are not important questions to be answered. The area of interactions between molecules or parts of the same molecule, and rotational barriers in polymer molecules, could
Detain
发表于 2025-3-25 16:33:41
Subjektive Faktoren in der Translationates in solids. Such studies differ from those applicable to small molecules through the necessity of choosing methods which do not outstrip our computing capacities, and differ from conventional infinite-crystal studies through a lack of exploitable translational symmetry. The regime under consider
FER
发表于 2025-3-25 22:14:17
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Amorous
发表于 2025-3-26 01:22:15
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使熄灭
发表于 2025-3-26 05:31:02
978-1-4684-2015-9Springer Science+Business Media New York 1973
相符
发表于 2025-3-26 12:19:24
es in solids. Various semi-empirical and first-principles methods well known in quantum chemistry have been applied with considerable success to ever larger and more complex molecules, including some of biological importance, as well as to selected solid state problems involving localized electronic
aplomb
发表于 2025-3-26 14:11:23
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BLANK
发表于 2025-3-26 19:43:10
https://doi.org/10.1007/978-3-658-33032-3y weak, ranging for the most part from.002 k cal/mole (the interaction of two helium atoms at the van der Waals minimum) to about 10 k cal/mole (a strong hydrogen bond, or a rotational barrier in a polymer molecule).