"3"^^ . "1463-9076" . "5"^^ . . . . "Characterization of Ag+ Sites in ZSM-5: A Combined Quantum Mechanics/Interatomic Potential Function Study."@en . "RIV/61388955:_____/01:54010219" . . . . . . . "Nachtigall, Petr" . . "\u0160ilhan, Martin" . "P(GA203/00/0637), P(LN00A032), Z(AV0Z4040901)" . "Characterization of Ag+ Sites in ZSM-5: A Combined Quantum Mechanics/Interatomic Potential Function Study." . . . "675372" . . "Characterization of Ag+ Sites in ZSM-5: A Combined Quantum Mechanics/Interatomic Potential Function Study."@en . . "The interaction of Ag+ ions with the ZSM-5 lattice was studied by means of a combined quantum mechanics/interatomic potential function method. A new Ag(I)-O interaction potential was parametrized based on ab initio data and its quality was tested. The calculated vertical excitation energies of T<-S transition show a strong correlation with the coordination number of the Ag+ ions."@en . "4791;4795" . . "The interaction of Ag+ ions with the ZSM-5 lattice was studied by means of a combined quantum mechanics/interatomic potential function method. A new Ag(I)-O interaction potential was parametrized based on ab initio data and its quality was tested. The calculated vertical excitation energies of T<-S transition show a strong correlation with the coordination number of the Ag+ ions." . . "Characterization of Ag+ Sites in ZSM-5: A Combined Quantum Mechanics/Interatomic Potential Function Study." . "RIV/61388955:_____/01:54010219!RIV/2003/AV0/A54003/N" . "3" . "GB - Spojen\u00E9 kr\u00E1lovstv\u00ED Velk\u00E9 Brit\u00E1nie a Severn\u00EDho Irska" . "[DBDD9D0DE306]" . . "zeolite ZSM-5; - silver; - catalysis"@en . "Physical Chemistry Chemical Physics" . "21" . . . . "3"^^ . "0"^^ . "Nachtigallov\u00E1, Dana" . "0"^^ .