The nature of the bonding in transition-metal compounds.

π-Bonding and the Lone Pair Effect in Multiple Bonds between Heavier Main Group Elements

The nitrate radical: Physics, chemistry, and the atmosphere

The coordination chemistry of the amidine ligand

Hydrides of the Main-Group Metals: New Variations on an Old Theme

Calculs SCF de la structure dans les symetries C 2v et D 3h de NO 3 avec un espace actif incluant les orbitales 2s et 2p de l'azote et les orbitales 2p de l'oxygene. On donne egalement les frequences vibrationnelles du point stationnaire D 3h

Is there an absence of threefold symmetry at the equilibrium geometry of the ground electronic state for NO3

Infrared spectra of the unknown dialane (Al2H6) and recently observed digallane (Ga2H6) molecules

NO2 radical spectroscopy: Vibrational frequencies, dipole moment, and the energy difference between the bent and linear stationary points on the ground state potential surface

Infrared spectra of beryllium carbonyls from reactions of beryllium atoms with carbon monoxide in solid argon

Hartree-Fock-Roothaan calculations are reported for the pentacarbonyls M(CO) 5 L (M=Cr, L=PH 3 , NH 3 ; M=Mn, L=Cl, H) and for the fragments formed by carbonyl loss. Analytical gradient techniques were used to completely optimize the geometries. For most complexes this difference is split between ground-state effects and relaxation effects in the intermediate. The importance of relaxation effects increases as the π-donor ability of L increases

Theoretical studies of inorganic and organometallic reaction mechanisms. 1. Cis labilization in carbonyl substitution reactions of hexacoordinate chromium(0) and manganese(I) pentacarbonyl complexes

Randall D. Davy

Papers

Is there an absence of threefold symmetry at the equilibrium geometry of the ground electronic state for NO3

Infrared spectra of the unknown dialane (Al2H6) and recently observed digallane (Ga2H6) molecules

NO2 radical spectroscopy: Vibrational frequencies, dipole moment, and the energy difference between the bent and linear stationary points on the ground state potential surface

Infrared spectra of beryllium carbonyls from reactions of beryllium atoms with carbon monoxide in solid argon

Theoretical studies of inorganic and organometallic reaction mechanisms. 1. Cis labilization in carbonyl substitution reactions of hexacoordinate chromium(0) and manganese(I) pentacarbonyl complexes