A b i n i t i o study of perturbations between the X 1Σ+g and b 3Σ−g states of the C2 molecule

Molecular Spectra and Molecular Structure

1979 • 15,902 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

Angular Momentum in Quantum Mechanics

1958 • 4,444 citations

Elementary Theory of Angular Momentum

1957 • 3,656 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Ab Initio Computations in Atoms and Molecules

1965 • 1,526 citations

Intramolecular Radiationless Transitions

1968 • 1,203 citations

The Coupling of Angular Momentum Vectors in Molecules

1951 • 599 citations

Rate of Interconversion of Electronic and Vibrational Energy

1966 • 523 citations

Theory of Electronic Energy Relaxation in the Solid Phase

1962 • 466 citations

Molecular orbital theory of the electronic structure of organic compounds. X. Systematic study of geometries and energies of AHn molecules and cations

1971 • 450 citations

Mass Spectrometric Study of Carbon Vapor

1959 • 279 citations

Spin–Orbit Coupling in Aromatic Hydrocarbons. Analysis of Nonradiative Transitions between Singlet and Triplet States in Benzene and Naphthalene

1971 • 262 citations

Molecular orbital theory of the electronic structure of organic compounds. VI. Geometries and energies of small hydrocarbons

1971 • 253 citations

Studies in Molecular Structure. I. Scope and Summary of the Diatomic Molecule Program

1960 • 234 citations

Lifetimes in Excited States

1971 • 174 citations

The A'^{3}Σ_{g} - Χ'^{3}Π_{u} Band System of the C_{2} Molecule.

1963 • 124 citations

What is the leading mechanism for the nonradiative decay of the lowest triplet state of aromatic hydrocarbons?

1972 • 122 citations

Spin—Orbit Effects and the Fine Structure in the 3Σg− Ground State of O2

1967 • 118 citations

Electronic Structure of C2

1966 • 116 citations

Studies in Molecular Structure. VII. Limited Configuration Interaction for Selected First-Row Diatomics

1962 • 101 citations

Theoretical study of the perturbation parameters in the a 3Π and A 1Π states of CO

1973 • 86 citations

Generalized valence bond description of simple alkanes, ethylene, and acetylene

1972 • 74 citations

Low-Lying Valence Levels of BN and C2. The Ground State of BN

1967 • 73 citations

Ground State of the C2 Molecule

1959 • 73 citations

Theoretical Analysis of the Effects of Hydrogenation in Hydrocarbons: Accurate SCF MO Wavefunctions for C2H2, C2H4, and C2H6

1967 • 70 citations

Ab initio evaluation of the fine structure of the oxygen molecule

1974 • 70 citations

Comparison of various CI treatments for the description of potential curves for the lowest three states of O2

1972 • 52 citations

Theoretical Calculation of the Electronic States of C2+

1968 • 52 citations

New electronic transitions of the C2 molecule in absorption in the vacuum ultraviolet region

1969 • 39 citations

Correlation Energy of Ethylene and Acetylene

1965 • 33 citations

Theoretical studies of fine structure in the ground state of O2

1972 • 29 citations

Eine SCF-MO-CI-Berechnung des C₂ -Moleküls mit einer atomaren Basis von kontrahierten Gauß-Funktionen / An scf-mo-cl calculation of the c₂ molecule using an atomic basis of contracted gaussian lobe functions

1972 • 26 citations

Remarks on ``Spin Dipole—Dipole Interaction in O2''

1965 • 18 citations

Fluorescence and Nonradiative Decay of Anthracene in Crystal and Solution

1970 • 17 citations

Molecular Parameters for the a³Π_u and b³Σ_g⁻ States in C₂

1975 • 15 citations

Matrix Elements of Spin-Dependent Operators over Total Molecular Wavefunctions

1970 • 6 citations