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Volumn 178-180, Issue PART 2, 1998, Pages 1019-1049

Lindqvist and Keggin ions to electronically inverse hosts: Ab initio modelling of the structure and reactivity of polyoxometalates

(5) Rohmer, Marie Madeleine a Bénard, Marc a Blaudeau, Jean Philippe a Maestre, Juan M b Poblet, Josep M b

a UNIVERSITÉ DE STRASBOURG (France)

b UNIVERSITAT ROVIRA I VIRGILI (Spain)

Author keywords

Ab initio; Density functional theory; Electrostatic potentials; Encapsulation complexes; Host guest complexes; Lattice potential; Polyoxometalates; Quantum chemistry

Indexed keywords

EID: 0345759498 PISSN: 00108545 EISSN: None Source Type: Journal
DOI: 10.1016/s0010-8545(98)00162-3 Document Type: Article

Times cited : (112)

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