荣幸 发表于 2025-3-25 06:32:19
Localization and Delocalization in Quantum Chemistryhttp://image.papertrans.cn/l/image/587742.jpgNebulizer 发表于 2025-3-25 10:57:25
978-94-010-1780-0D. Reidel Publishing Company, Dordrecht-Holland 1975MEN 发表于 2025-3-25 12:55:10
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The Transferable Properties of Localized Orbitalslements in this basis allows us to elaborate a simple parametric procedure adapted for hydrocarbons. Some applications of this procedure are performed..An original partitioning of the total energy through localized orbitals is also presented.免费 发表于 2025-3-26 05:34:47
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The Direct S.C.F. Computation of the Localised Molecular Orbitals of the Formaldehyde MoleculeThe localised molecular orbitals (l.m.o.s) of the formaldehyde molecule are computed in a rigorous manner at the Hartree-Fock level of approximation using a minimum basis set of Slater atomic orbitals. The theoretical and chemical significance of the results is examined.chlorosis 发表于 2025-3-26 16:25:27
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