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• W2000984586 abstract "Abstract A computational investigation of coordinatively saturated transition metal boryl (LnMBR2) complexes is reported. A combination of semiempirical quantum mechanics, ab initio quantum mechanics (Hartree Fock and density functional methods), and hybrid quantum mechanics/molecular mechanics are employed to investigate the structure and bonding of boryl complexes, in particular the extent of metalboron π bonding. It is concluded on the basis of calculated geometries, energies, spectroscopy and bonding analyses that for the boryl complexes studied, which cover a wide range of the important experimental prototypes, that metalboron π bonding is small to insignificant." @default.
• W2000984586 created "2016-06-24" @default.
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• W2000984586 date "2003-03-01" @default.
• W2000984586 modified "2023-10-14" @default.
• W2000984586 title "Novel transition metal multiple bonding—myth or reality?" @default.
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• W2000984586 doi "https://doi.org/10.1016/s0020-1693(02)01297-5" @default.
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