Titlebook: HFI/NQI 2007; Proceedings of the 1 A. Pasquevich,M. Rentería,H. Petrilli Conference proceedings 2008 Springer-Verlag Berlin Heidelberg 2008

表示向下

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

facetious

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

GUEER

Genistein

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.