"On the Existence of Cu(I) Dimers in ZSM-5 - A Computational Study." . "656949" . . "RIV/61388955:_____/02:54020007!RIV/2003/AV0/A54003/N" . . "Holthausen, M. C." . "0"^^ . . "On the Existence of Cu(I) Dimers in ZSM-5 - A Computational Study."@en . . . "9" . "0"^^ . . . "2"^^ . . "Spuhler, P." . "copper; - density functional calculations; - ion pairs"@en . "17"^^ . "Nachtigallov\u00E1, Dana" . "P(LN00A032), Z(AV0Z4040901)" . "Nachtigall, Petr" . "RIV/61388955:_____/02:54020007" . . "Sauer, J." . "5"^^ . "The siting and coordination of Cu1 pairs in zeolite ZSM-5 have been studied by means of a combined quantum mechanics/interatomic potential function technique. A missing Cu1-Cu1 interaction potential term in the force field has been parameterized. Several distinct coordination sites for Cu1 pairs have been identified within the ZSM-5 framework. The excitation and emission energies for the singlet-triplet transition of the Cu1 pairs have been studied." . . "0947-6539" . "Chemistry European Journal" . "[BDC264B9347B]" . . . . "2099;2115" . . . "8" . "On the Existence of Cu(I) Dimers in ZSM-5 - A Computational Study."@en . "DE - Spolkov\u00E1 republika N\u011Bmecko" . . . "On the Existence of Cu(I) Dimers in ZSM-5 - A Computational Study." . "The siting and coordination of Cu1 pairs in zeolite ZSM-5 have been studied by means of a combined quantum mechanics/interatomic potential function technique. A missing Cu1-Cu1 interaction potential term in the force field has been parameterized. Several distinct coordination sites for Cu1 pairs have been identified within the ZSM-5 framework. The excitation and emission energies for the singlet-triplet transition of the Cu1 pairs have been studied."@en . .