Dissociation energetics of SiF systems of relevance to etching reactions

Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

1985 • 12,937 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

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach

1980 • 3,584 citations

Binding energies in atomic negative ions

1975 • 1,526 citations

Self-Consistent Procedures for Generalized Valence Bond Wavefunctions. Applications H3, BH, H2O, C2H6, and O2

1972 • 376 citations

Relation between singlet-triplet gaps and bond energies

1986 • 298 citations

The Description of Chemical Bonding From AB Initio Calculations

1978 • 252 citations

Synchrotron photoemission investigation of the initial stages of fluorine attack on Si surfaces: Relative abundance of fluorosilyl species

1984 • 203 citations

Ab initiocluster study of the interaction of fluorine and chlorine with the Si(111) surface

1983 • 184 citations

Plasma-assisted etching mechanisms: The implications of reaction probability and halogen coverage

1985 • 109 citations

Orbital optimization in electronic wave functions; equations for quadratic and cubic convergence of general multiconfiguration wave functions

1976 • 95 citations

Detection of the Silyl Radical Si<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>by Infrared Diode-Laser Spectroscopy

1986 • 95 citations

X̃ 1A1, ã 3B1, and à 1B1 electronic state of silylenes. Structures and vibrational frequencies of SiH2, and SiHF, and SiF2

1983 • 91 citations

Bonding in transition-metal-methylene complexes. 2. (RuCH2)+, a complex exhibiting low-lying methylidene-like and carbene-like states

1986 • 77 citations

Molecular Orbital Investigation of CF and SiF and Their Positive and Negative Ions

1971 • 74 citations

The shape and Hamiltonian consistent (SHC) effective potentials

1981 • 67 citations

A b i n i t i o study of the vibrational dependence of hyperfine coupling constants in the methyl, silyl, and formaldehyde anion radicals

1980 • 64 citations

The chromium methylidene cation: CrCH2+

1984 • 58 citations

A b i n i t i o theoretical results on the stability of cyclic ozone

1977 • 43 citations

Properties of the monofluorides of nitrogen, silicon, phosphorus, and sulfur from a molecular orbital study

1973 • 43 citations

Theoretical studies on low-lying valence states of NS, SiF, and CCl

1976 • 33 citations

An SCF–CI study of the structures, inversion barriers, and inversion frequencies of SiH3, PH3+, and SH3++

1981 • 31 citations

The electronic spectrum of silicon difluorid. A theoretical study

1973 • 28 citations

An ab initio calculation of the potential surface and rotation—vibration energies of the silyl radical

1984 • 25 citations