AMBIENTUM BIOETHICA BIOLOGIA CHEMIA DIGITALIA DRAMATICA EDUCATIO ARTIS GYMNAST. ENGINEERING EPHEMERIDES EUROPAEA GEOGRAPHIA GEOLOGIA HISTORIA HISTORIA ARTIUM INFORMATICA IURISPRUDENTIA MATHEMATICA MUSICA NEGOTIA OECONOMICA PHILOLOGIA PHILOSOPHIA PHYSICA POLITICA PSYCHOLOGIA-PAEDAGOGIA SOCIOLOGIA THEOLOGIA CATHOLICA THEOLOGIA CATHOLICA LATIN THEOLOGIA GR.-CATH. VARAD THEOLOGIA ORTHODOXA THEOLOGIA REF. TRANSYLVAN
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STUDIA CHEMIA - Issue no. 2 / 2008 | |||||||
Article: |
UNSATURATION IN BINUCLEAR FIRST ROW CYCLOPENTADIENYLMETAL CARBONYLS AS STUDIED BY DENSITY FUNCTIONAL THEORY. Authors: R. BRUCE KING, HENRY F. SCHAEFER, YAOMING XIE, QIAN SHU LI, XIUHUI ZHANG, HONGYAN WANG. |
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Abstract: The geometries of binuclear cyclopentadienylmetal carbonyls Cp2M2(CO)n as well as related metal nitrosyl and cyclobutadienemetal derivatives have been optimized by using B3LYP and BP86 methods from density functional theory. New examples of metal-metal multiple bonding and four-electron donor carbonyl groups have been found in unsaturated molecules of this type. | |||||||