Add to ORKGThe bonding mechanisms between the first-row transition metal and carbon monoxide were discussed. Three basic rules have been drawn up to determine the ground states of the metal monocarbonyls. The theoretical assignments are in full agreement with the existing experimental. results
Author Institution: Philips Research Laboratories, EindhovenThe problem of bonding in metalcarbonyls...
The electron density distribution in a transition-metal dimer containing a semibridging carbonyl is ...
A desktop means of estimating the distribution of charge among the ligands in an organometallic comp...
In the last few years, the quantum theory of atoms in molecules has become the paradigm for interpre...
In the last few years. the quantum theory of atoms in molecules has become the paradigm for interpre...
We report the adiabatic energy decomposition analysis (EDA) of density functional theory (DFT) resul...
$^{*}$Formerly of the Theoretical Chemistry Department, Cambridge University, England. $^{1}$W. Mo...
The equilibrium geometries and bond-dissociation energies for loss of one CO and loss of six CO from...
The electronic structure of the ground state of monoxides MO and carbides MC2 with M an alkaline-ear...
Chemical bonding in simple transition metal carbonyls is examined under the interacting quantum atom...
A detailed analysis of the valence molecular orbitals (MO) in Cr(CO)6, Mo(CO)6, and W(CO)6is present...
Author Institution: Department of Chemistry, Purdue UniversityA simple theory of the C-O stretching ...
The electron density distribution in a transition-metal dimer containing a semibridging carbonyl is ...
Hartree-Fock calculations were performed for some first long period transition metal molecules inclu...
Author Institution: L.A.D.I.R./Spectrochimie Moleculaire, U.M.R. 7075, CNRS-Universite Pierre et Mar...
Author Institution: Philips Research Laboratories, EindhovenThe problem of bonding in metalcarbonyls...
The electron density distribution in a transition-metal dimer containing a semibridging carbonyl is ...
A desktop means of estimating the distribution of charge among the ligands in an organometallic comp...
In the last few years, the quantum theory of atoms in molecules has become the paradigm for interpre...
In the last few years. the quantum theory of atoms in molecules has become the paradigm for interpre...
We report the adiabatic energy decomposition analysis (EDA) of density functional theory (DFT) resul...
$^{*}$Formerly of the Theoretical Chemistry Department, Cambridge University, England. $^{1}$W. Mo...
The equilibrium geometries and bond-dissociation energies for loss of one CO and loss of six CO from...
The electronic structure of the ground state of monoxides MO and carbides MC2 with M an alkaline-ear...
Chemical bonding in simple transition metal carbonyls is examined under the interacting quantum atom...
A detailed analysis of the valence molecular orbitals (MO) in Cr(CO)6, Mo(CO)6, and W(CO)6is present...
Author Institution: Department of Chemistry, Purdue UniversityA simple theory of the C-O stretching ...
The electron density distribution in a transition-metal dimer containing a semibridging carbonyl is ...
Hartree-Fock calculations were performed for some first long period transition metal molecules inclu...
Author Institution: L.A.D.I.R./Spectrochimie Moleculaire, U.M.R. 7075, CNRS-Universite Pierre et Mar...
Author Institution: Philips Research Laboratories, EindhovenThe problem of bonding in metalcarbonyls...
The electron density distribution in a transition-metal dimer containing a semibridging carbonyl is ...
A desktop means of estimating the distribution of charge among the ligands in an organometallic comp...