Theoretical studies of the first- and second-row transition-metal mono- and dicarbonyl positive ions

CRC Handbook of Chemistry and Physics

2014 • 56,288 citations

Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

1985 • 14,719 citations

Atomic energy levels

1965 • 5,224 citations

Constants of diatomic molecules

1979 • 5,108 citations

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

1970 • 4,990 citations

Comprehensive Organometallic Chemistry

1984 • 4,706 citations

Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row Atoms

1970 • 3,336 citations

Methods of Electronic Structure Theory

1977 • 2,725 citations

Gaussian basis sets for molecular calculations. The representation of 3d orbitals in transition-metal atoms

1977 • 1,971 citations

Highly correlated systems. Excitation energies of first row transition metals Sc–Cu

1989 • 1,025 citations

Approximate relativistic corrections to atomic radial wave functions*

1976 • 973 citations

JANAF thermochemical tables, 1975 supplement

1975 • 594 citations

The coupled pair functional (CPF). A size consistent modification of the CI(SD) based on an energy functional

1985 • 489 citations

Small Gaussian Expansions of Slater-Type Orbitals

1970 • 449 citations

Electron impact phenomena

1958 • 440 citations

A multi-configuration Hartree-Fock program

1970 • 372 citations

A modified coupled pair functional approach

1986 • 333 citations

Theoretical studies of the first- and second-row transition-metal methyls and their positive ions

1989 • 333 citations

Electronic Wavefunctions for Atoms. III. Partition of Degenerate Spaces and Ground State of C

1970 • 260 citations

All-electron relativistic calculations on silver hydride. An investigation of the Cowan-Griffin operator in a molecular species

1983 • 227 citations

Classification of configurations and the determination of interacting and noninteracting spaces in configuration interaction

1973 • 220 citations

The binding energies of one and two water molecules to the first transition-row metal positive ions

1989 • 185 citations

AB Initio Studies of Transition Metal Systems

1988 • 180 citations

Highly correlated systems. Ionization energies of first row transition metals Sc–Zn

1989 • 179 citations

The binding energies of one and two water molecules to the first transition-row metal positive ions. II

1990 • 119 citations

On correlation in the first row transition metal atoms

1982 • 109 citations

Positive ions of the first- and second-row transition metal hydrides

1987 • 107 citations

Transition metal–ligand bonding. II

1986 • 94 citations

Kinetic energy release distributions as a probe of transition-metal-mediated hydrogen-hydrogen, carbon-hydrogen, and carbon-carbon bond formation processes: reactions of cobalt and nickel ions with alkanes

1988 • 94 citations

Electron-impact study of some binary metal carbonyls

1967 • 90 citations

Gas-phase ion chemistry of iron pentacarbonyl by ion cyclotron resonance spectroscopy. New insights into the properties and reactions of transition metal complexes in the absence of complicating solvation phenomena

1975 • 74 citations

Mass Spectrometric Studies of Chromium, Molybdenum, and Tungsten Hexacarbonyls

1965 • 74 citations

Photodissociation dynamics of Fe(CO)5: Excited state lifetimes and energy disposal

1983 • 72 citations

Theoretical study of metal noble-gas positive ions

1989 • 71 citations

Mass Spectra of Metal Hexacarbonyls*

1965 • 70 citations

Theoretical study of the N+2 Meinel system

1987 • 68 citations

Ions produced in the mass spectrometer from cyclopentadienylmetal carbonyl compounds of cobalt, manganese and vanadium

1965 • 68 citations

A Mass Spectrometric Investigation of Nickel Tetracarbonyl and Iron Pentacarbonyl

1964 • 68 citations

Reactions of atomic cobalt ions with aldehydes and ketones. Observation of decarbonylation processes leading to formation of metal alkyls and metallacycles in the gas phase

1984 • 64 citations

Comparative mass spectrometry of the Group 6B hexacarbonyls and pentacarbonyl thiocarbonyls

1980 • 55 citations

Energetics of the Ionization and Dissociation of Ni(CO)₄, Fe(CO)₅, Cr(CO)₆, Mo(CO)₆ and W(CO)₆

1968 • 54 citations

The vibrational frequencies, the dissociation energy, and the electron affinity of nickel carbonyl

1988 • 52 citations

Photoionization study of Fe(CO)5 and Ni(CO)4

1970 • 52 citations

Determination of the iron(1+) ion-hydroxyl and cobalt(1+) ion-hydroxyl bond energies by deprotonation reactions and by photodissociation

1984 • 49 citations

Ions Produced by Electron Impact with the Dimetallic Carbonyls of Cobalt and Manganese¹

1965 • 47 citations

A CI study of the CuCO and CuCO+ complexes

1987 • 47 citations

Theoretical studies of the transition metal–carbonyl systems MCO and M(CO)2, M=Ti, Sc, and V

1989 • 46 citations

Reactions of ground state Cr+ with C2H6, C2H4, cyclo-C3H6, and cyclo-C2H4O: bond energies for CrCH+n (n = 1–3)

1989 • 46 citations

On the electrostatic bonding of carbonyl to the monocations of the first-row transition elements

1989 • 44 citations

Fundamental studies of the energetics and dynamics of ligand dissociation and exchange processes at transition-metal centers in the gas phase: Mn(CO)x+, x = 1-6

1989 • 39 citations

Metal-carbon bond dissociation energies and enthalpies of formation for gaseous metal carbonyls

1978 • 26 citations

The gas phase chemistry of bare and ligated transition metal ions: Correlations of reactivity with electronic structure—I. M+ and MCO+

1988 • 25 citations

A theoretical study of rhodium/carbonyl species

1988 • 23 citations

On the dissociation energies and bonding in NiCO+ and TiCO+

1988 • 21 citations

Pyrolysis and Molecular-Beam Mass Spectrum of Tetracarbonylnickel(0)

1967 • 18 citations

A mass spectrometric study of nickel tetracarbonyl, iron pentacarbonyl and binary mixtures of these compounds

1976 • 15 citations

Laser-ion beam photodissociation studies of ionic cluster fragments of iron carbonyls: Fex(CO)y+ (x = 1-3; y = 0-6)

1988 • 12 citations

The application of the simplified form of the quasiequilibrium theory to the mass spectra of some mononuclear metal carbonyls

1975 • 9 citations