Open Shell SCF Theory: An ab Initio Study of Some Interstellar Molecules

Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

1955 • 3,424 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

Tables of experimental dipole moments

1963 • 1,571 citations

Quantum theory of molecular electronic structure

1980 • 717 citations

Photochemistry of small molecules

1979 • 481 citations

The interstellar medium

1970 • 477 citations

Bond energies, ionization potentials and electron affinities

1966 • 437 citations

Interstellar molecule reactions

1976 • 389 citations

Tholins: organic chemistry of interstellar grains and gas

1979 • 335 citations

Molecules in the galactic environment

1973 • 266 citations

Molecule formation in the interstellar gas

1976 • 264 citations

97. Radio Observations of OH in the Interstellar Medium

1979 • 241 citations

General SCF operator satisfying correct variational condition

1973 • 165 citations

A bibliography of ab initio molecular wave functions

1971 • 128 citations

Observations of Interstellar H and k, Molecular Lines, and Radial Velocities in the Spectra of 300 O and B Stars.

1949 • 128 citations

Electron-impact excitation of the low-lying electronic states of formaldehyde

1974 • 116 citations

Electric Dipole Moment of the 1A2 Electronic State of Formaldehyde

1966 • 112 citations

Analytical Methods in Hartree-Fock Self-Consistent Field Theory

1961 • 107 citations

Applicability of Roothaan's Self-Consistent Field Theory

1960 • 107 citations

Coupling Operator Method in the SCF Theory

1969 • 104 citations

Absorption of Acyclic Oxygen Compounds in the Vacuum Ultraviolet. I. Alcohols

1959 • 99 citations

A steady-state calculation of molecule abundances in interstellar clouds

1978 • 97 citations

Metastable isomers - A new class of interstellar molecules

1979 • 86 citations

Microwave detection of the molecular transient methyleneimine (CH2=NH)

1972 • 82 citations

On the coupling operator method

1974 • 82 citations

A b i n i t i o evaluation of the fine structure and radiative lifetime of the 3A2(n→π*) state of formaldehyde

1976 • 79 citations

The proper treatment of off-diagonal lagrange multipliers and coupling operators in self-consistent field equations

1969 • 71 citations

Triplet excitation of water and methanol by low-energy electron-impact spectroscopy

1972 • 70 citations

Gas Phase Reactions in Astrophysics

1978 • 70 citations

The formation of interstellar molecules

1976 • 68 citations

Transition Probability Data for Molecules of Astrophysical Interest

1977 • 66 citations

A General SCF Theory

1978 • 60 citations

Dipole Moment of Formic Acid, HCOOH and HCOOD

1962 • 60 citations

Interstellar chemistry

1977 • 55 citations

Interstellar molecules

1973 • 51 citations

An ab initio study of formamide

1977 • 47 citations

Electron impact spectra of some alkyl derivatives of water and related compounds

1974 • 47 citations

Generalized open shell SCF theory

1974 • 45 citations

The low-lying excited states of water, methanol, and dimethyl ether

1976 • 42 citations

Some remarks about a generalized SCF coupling operator open shell theory

1975 • 37 citations

Theoretical investigation of the carbon nitrogen double bond

1973 • 35 citations

Self-Consistent-Field Theory. II. The LCAO Approximation

1964 • 35 citations

Bibliography of ab initio Molecular Wave Functions, Supplement for 1970–1973

1976 • 33 citations

Topics in Interstellar Matter

1977 • 32 citations

Potential surface distortion and orbital reorganization upon change of electronic state. Formaldehyde

1975 • 30 citations

Ab initio SCF and CI study of the electronic structure and the n → π* excitation of CHoCHO, NH2CHO, HOCHO and FCHO

1975 • 28 citations

Unconditional convergence in SCF theory: a general level shift technique

1977 • 27 citations

Identification of interstellar polysaccharides and related hydrocarbons

1978 • 26 citations

Empirically adjusted ab initio calculations for the valence and rydberg excited states of formic acid

1976 • 25 citations

Molecular dipole moments from SCF calculations in a Gaussian basis: Comparison with experiment

1974 • 22 citations

Self-Consistent-Field Theory. IV. LCAO Approximation for Excited States

1964 • 19 citations

Simple Procedure for Open Shell SCF Molecular Orbital Computations

1972 • 17 citations

Origin of Interstellar Molecules

1973 • 15 citations

Interstellar Molecules: Their Formation and Destruction

1972 • 10 citations

Galactic clouds of organic molecules

1974 • 6 citations

The relationship of interstellar molecules to the origin of life

1971 • 5 citations

Interstellar molecules

1974 • 4 citations

Theoretical interstellar and prebiotic organic chemistry: A tentative methodology

1976 • 1 citations

Cited By (0)

Loading...