Density functional approach to the structures and EPR parameters of open shell systems. The case of fluorovinyl radicals

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

1980 • 19,673 citations

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

1986 • 17,918 citations

Note on an Approximation Treatment for Many-Electron Systems

1934 • 13,955 citations

A full coupled-cluster singles and doubles model: The inclusion of disconnected triples

1982 • 6,084 citations

Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation

1986 • 4,006 citations

Density-functional thermochemistry. I. The effect of the exchange-only gradient correction

1992 • 3,103 citations

Theoretical models incorporating electron correlation

2009 • 1,556 citations

Electron Spin Resonance Studies of Transient Alkyl Radicals

1963 • 1,250 citations

Density functional Gaussian-type-orbital approach to molecular geometries, vibrations, and reaction energies

1992 • 935 citations

Non-iterative fifth-order triple and quadruple excitation energy corrections in correlated methods

1990 • 862 citations

New algorithm for the optimization of geometries in local density functional theory

1990 • 639 citations

A semi‐empirical <scp>MO</scp> theory for ionization potentials and electron affinities

1977 • 546 citations

The ACES II program system

1992 • 417 citations

Open-shell analytical energy gradients for triple excitation many-body, coupled-cluster methods: MBPT(4), CCSD+T(CCSD), CCSD(T),and QCISD(T)

1992 • 316 citations

Electron spin resonance spectra of some isotopically substituted hydrocarbon radicals

1967 • 290 citations

Restricted Møller—Plesset theory for open-shell molecules

1991 • 271 citations

Many-body perturbation theory with a restricted open-shell Hartree—Fock reference

1991 • 242 citations

An example of numerical nonconvergence of a variable-metric method

1985 • 159 citations

Gaussian basis sets for calculation of spin densities in first-row atoms

1989 • 126 citations

Spin density of radicals by finite field many-body methods

1985 • 118 citations

Gas phase electron diffraction study of six fluoroethylenes

1974 • 107 citations

Gaussian density functional calculations on the allyl and polyene radicals: C3H5 to C11H13

1991 • 102 citations

Systematic GVB study of harmonic vibrational frequencies and dipole moment derivatives: The vinyl radical C2H3 and other simple molecules

1984 • 76 citations

Theoretical study of the ethenyl radical in the electronic ground and excited states

1985 • 51 citations

A Fourier transform infrared study of the D and 13C substituted C2H3 vinyl radical in solid argon

1988 • 44 citations

Vibro-rotational analysis of Si2C from an ab initio potential energy surface. A comparison between perturbative and variational methods

1992 • 25 citations

Theoretical investigation of the EPR spectrum of the cyclopropyl radical

1993 • 23 citations

Protomeric equilibria in the ground and excited states of 2-pyridone. A semiempirical study including solvent effects

1993 • 19 citations

Electron spin resonance studies on the fluorovinyl radical. Identification and electronic structure

1982 • 18 citations

Fluorine atom addition to acetylene and ethylene in cancrinite: electron paramagnetic resonance of .cntdot.CHCHF and .cntdot.CH2CH2F at 77 K

1983 • 12 citations

Vibrational spectroscopy of C2F3 in an Ar matrix

1992 • 9 citations

Perfluorovinyl radical, CF2=CF: matrix isolation ESR and molecular orbital study

1986 • 7 citations

Deleted Work

1955 • 0 citations