Ab initio modeling of the endohedral reactivity of polyoxometalates. 2. Electrostatic potential distributions in electronically inverse hosts;Étude ab initio de la réactivité endohédrale des polyoxométallates. 2. Distribution du potentiel électrostatique dans les complexes cages électroniquement inverses

Comptes Rendus de l'Academie des Sciences - Series IIc: Chemistry

Volumn 1, Issue 5-6, 1998, Pages 319-332

  Blaudeau, Jean Philippe ^a   Rohmer, Marie Madeleine ^a   Bénard, Marc ^a   Ghermani, Nour Eddine ^b  

^a UNIVERSITÉ DE STRASBOURG   (France)

^b UNIVERSITÉ DE LORRAINE   (France)

Author keywords

Ab initio; Electrostatic potentials; Encapsulation complexes; Hartree Fock; Host guest complexes; Lattice potential; Polyoxometalates; Quantum chemistry

Indexed keywords

EID: 0032068020     PISSN: 13871609     EISSN: None     Source Type: Journal    
DOI: 10.1016/s1387-1609(98)80170-9     Document Type: Article

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