表示向下
发表于 2025-4-1 04:22:19
https://doi.org/10.1007/978-981-13-7442-5lid. It was found that the intermolecular binding energy primarily arises from Van der Waals (VDW) interactions between the molecules resulting from intermolecular many-body effects, which counteract the repulsive interactions between the molecules arising from one-electron Hartree-Fock (HP) theory.
HAUNT
发表于 2025-4-1 09:04:11
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facetious
发表于 2025-4-1 13:56:16
https://doi.org/10.1007/978-94-007-7787-3s using the first-principles Hartree-Fock-Roothaan procedure combined with electron correlation effects. Our results for the .F. nuclear quadrupole coupling constant (. .qQ/h) in units of MHz compare well with experiment. Trends in the binding energies and NQI parameters between the complexes are discussed.
textile
发表于 2025-4-1 18:01:18
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GUEER
发表于 2025-4-1 19:07:48
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Genistein
发表于 2025-4-1 22:55:59
Electronic properties of Hf2X intermetallic compounds (X =Al, Si, Ni, Ga and Ge), can be attributed to the resemblance of the crystallographic structure and the alike electronic structure of the X-ligand atom, having one or two p-electrons in the external orbital with close shells below.