. "The nature of M-O bond in MOX4 compounds (where M = Ru or Os and X = F, Cl, Br or I) was analyzed by DFT (Density Functional Theory) methods at the BP86/LANL2DZ level of theory. The obtained charge density was analyzed by Fermi hole analysis, NBO (Natural Bond Order) analysis and AIM-based (Atoms-in-Molecules) methods. The M-O bond is essentially a triple bond, although strongly polarized. The clearest differences in bonding between the Ru and Os compounds can be found in the M-O ? bonds, where in the Os compounds we find more charge density resting close to O."@en . . "RIV/67985858:_____/06:00049445!RIV07-AV0-67985858" . . "2"^^ . . . "The Nature of M-O Bond in MOX4 Compounds (M=Os,Ru; X=F,Cl,Br,I)"@en . . "[52DD79CA78A7]" . "899;906" . . "P(IAA4072403), Z(AV0Z40720504)" . . "The Nature of M-O Bond in MOX4 Compounds (M=Os,Ru; X=F,Cl,Br,I)" . . "Inorganica chimica acta" . . . "The Nature of M-O Bond in MOX4 Compounds (M=Os,Ru; X=F,Cl,Br,I)" . . . "Povaha vazby M-O v slou\u010Denin\u00E1ch typu MOX4 (M=Ru, Os a XZ=F,Cl,Br,I)"@cs . "8"^^ . . "RIV/67985858:_____/06:00049445" . . "359" . "NL - Nizozemsko" . . "Ponec, Robert" . "The nature of M-O bond in MOX4 compounds (where M = Ru or Os and X = F, Cl, Br or I) was analyzed by DFT (Density Functional Theory) methods at the BP86/LANL2DZ level of theory. The obtained charge density was analyzed by Fermi hole analysis, NBO (Natural Bond Order) analysis and AIM-based (Atoms-in-Molecules) methods. The M-O bond is essentially a triple bond, although strongly polarized. The clearest differences in bonding between the Ru and Os compounds can be found in the M-O ? bonds, where in the Os compounds we find more charge density resting close to O." . "Povaha vazby M-O v slou\u010Denin\u00E1ch typu MOX4 (M=Ru, Os a XZ=F,Cl,Br,I)"@cs . "3" . "chemical bonding; osmium; ruthenium"@en . "1"^^ . "The Nature of M-O Bond in MOX4 Compounds (M=Os,Ru; X=F,Cl,Br,I)"@en . . "Sundberg, M. R." . "487814" . "Povaha vazby M-O ve slou\u010Denin\u00E1ch typu MOX4 (M=Ru, Os a XZ=F,Cl,Br,I) byla analyzov\u00E1na na B3LYP/LANL2DZ \u00FArovni. Z\u00EDskan\u00E1 matice hustoty byla analyzov\u00E1na pomoc\u00ED anal\u00FDzy dom\u00E9nov\u011B pr\u016Fm\u011Brovan\u00FDch Fermiho d\u011Br, NBO anal\u00FDzy a AIM metodologie. Vazba M-O je v z\u00E1sad\u011B trojn\u00E1, av\u0161ak velmi pol\u00E1rn\u00ED vazba. Nejv\u00FDznamn\u011Bj\u0161\u00ED rozd\u00EDl mezi Ru a Os slou\u010Deninami se pozoruje u M-O sigma vazby,"@cs . "0020-1693" .