LCAO-SCF Computations for Ethylene

An Extended Hückel Theory. I. Hydrocarbons

1963 • 4,551 citations

A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I.

1953 • 1,947 citations

The theory of the electronic spectra of organic molecules

1964 • 694 citations

Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First-Row Atoms and Ethylene

1966 • 432 citations

Zur Quantentheorie der Doppelbindung

1930 • 315 citations

Intensities of Electronic Transitions in Molecular Spectra II. Charge-Transfer Spectra

1939 • 305 citations

Molecular SCF Calculations on CH₄, C₂H₂, C₂H₄, C₂H₆, BH₃, B₂H₆, NH₃, and HCN

1966 • 248 citations

Far Ultraviolet Absorption Spectra of Ethylene and Ethylene-d4

1955 • 244 citations

Electronic Structures of Polyatomic Molecules and Valence. IV. Electronic States, Quantum Theory of the Double Bond

1933 • 244 citations

Ionization potentials and electron affinities of conjugated hydrocarbon molecules and radicals

1955 • 175 citations

The chemistry of alkenes

1964 • 161 citations

Calculation of the Average Structure of Ethylene

1966 • 148 citations

The Twisting Frequency and the Barrier Height for Free Rotation in Ethylene.

1947 • 140 citations

Absorption Coefficients of Ethylene in the Vacuum Ultraviolet

1953 • 139 citations

Electronic Structures of Polyatomic Molecules and Valence. II. Quantum Theory of the Double Bond

1932 • 137 citations

Inelastic Scattering of 390-V Electrons by Helium, Hydrogen, Methane, Ethane, Cyclohexane, Ethylene, and Water

1964 • 131 citations

Far Ultraviolet Absorption Spectra of Unsaturated and Aromatic Hydrocarbons

1955 • 130 citations

Structure and Ultraviolet Spectra of Ethylene, Butadiene, and Their Alkyl Derivatives

1942 • 125 citations

The Absorption Spectra of Methane, Carbon Dioxide, Water Vapor, and Ethylene in the Vacuum Ultraviolet

1950 • 114 citations

Electronic Spectra and Structure of the Carbonyl Group

1957 • 105 citations

Assignment of the Ultraviolet Mystery Band of Olefins

1966 • 101 citations

Excitation of Methane, Ethane, Ethylene, Propylene, Acetylene, Propyne, and 1-Butyne by Low-Energy Electron Beams

1965 • 98 citations

The Infra-Red Absorption Spectra of Ethylene and Tetra-Deutero-Ethylene under High Resolution

1942 • 97 citations

Molecular Orbital Calculations of Vibrational Force Constants. I. Ethylene

1948 • 96 citations

On the Electronic Structure and Electronic Spectra of Ethylene-Like Molecules

1955 • 95 citations

Non-adiabatic Reactions. Rotation about the Double Bond^*

1941 • 88 citations

Electronic Structures of Polyatomic Molecules. IX. Methane, Ethane, Ethylene, Acetylene

1935 • 87 citations

Ethylene Molecule in a Gaussian Basis. I. A Self-Consistent-Field Calculation

1965 • 76 citations

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

1967 • 70 citations

LCAO SCF Computations for Ammonia

1966 • 67 citations

Ethylene Molecule in a Gaussian Basis. II. Contracted Bases

1967 • 67 citations

The Ultraviolet Absorption Spectra of Simple Hydrocarbons III. In Vapor Phase in the Schumann Region

1936 • 64 citations

Intensity Distribution in the Energy-Loss Spectrum of Ethylene

1966 • 58 citations

Structure of Ethylene

1957 • 57 citations

Absorption Intensities of Ethylenes and Acetylenes in the Vacuum Ultraviolet

1949 • 56 citations

Variational Calculation of Ethylene

1962 • 56 citations

The theory of the structure of ethylene and a note on the structure of ethane

1934 • 55 citations

Analog of n→π Transitions in Mono-Olefins

1963 • 54 citations

LCAO–SCF Computations for Hydrogen Peroxide

1966 • 53 citations

Low-Temperature Absorption Spectra of Selected Olefins in the Farther Ultraviolet Region

1955 • 50 citations

Calculations of the energy levels of acetylene by the method of antisymmetric molecular orbitals, including ?-? interaction

1952 • 44 citations

A molecular orbital theory of hydrocarbons

1965 • 42 citations

Electron-impact spectroscopy

1963 • 42 citations

Charge Distribution in Negative Ions and the Electron Affinities of Conjugated Hydrocarbons

1962 • 41 citations

Determination of Electronic Energy Levels of Molecules by Low-Energy Electron Impact Spectroscopy

1962 • 41 citations

The Structure of Substituted Ethylenes and Their Isomerization Polymerization and ``Peroxide Addition'' Reactions

1942 • 36 citations

Some calculations on the ethylene molecule

1953 • 36 citations

Electronic levels of polyatomic molecules. I.—Some levels of the CC double bond

1934 • 34 citations

Correlation Energy of Ethylene and Acetylene

1965 • 33 citations

Recent Developments in the Generalized Hückel Method

1964 • 32 citations

Lowest Triplet States of Ethylene

1960 • 31 citations

Polar structures in the theory of conjugated molecules I. Identification of the ethylene π-electron states

1950 • 29 citations

RATE THEORY AND SOME PHYSICAL AND CHEMICAL PROPERTIES OF HIGH POLYMERS

1943 • 27 citations

Catalysis of Cis-Trans Isomerization by Paramagnetic Substances

1952 • 27 citations

An Electronic Transition of the Rydberg Series Type in the Absorption Spectra of Hydrocarbons

1939 • 25 citations

Determination of Electronic Energy Levels of Molecules by Low-Energy Electron-Impact Spectroscopy

1963 • 25 citations

Notizen: Hochauflösende Elektronenstoßspektrometrie des Elektronen- und Schwingungsspektrums von Äthylen

1965 • 24 citations

Expanded gaussian orbitals and the electronic states of ethylene

1965 • 23 citations

Kinetics of Thermal Cis-Trans Isomerizations. V

1936 • 21 citations

Differences between Low-Energy Electron-Impact Spectra at 0° and at Large Scattering Angle

1963 • 21 citations

The Thermal Trans-Cis Isomerization of Dideuteroethylene

1952 • 16 citations

A semi-empirical theory of the electronic structure of ethylene with particular reference to the ionization potential

1960 • 16 citations

A note on the twisting-frequency in ethylene

1934 • 15 citations

π-σ Electronic states in molecules II. The singlet spectrum of ethylene and derivatives

1952 • 14 citations

Electronic Spectrum of Ethylene Single Crystal; Search for the Olefin Mystery Band

1966 • 14 citations

Electronic States of Ethylene Molecule

1952 • 13 citations

The distortions of the ethylene molecule in its low-lying excited states—A four-electron treatment

1965 • 12 citations

The importance of π–σ interaction in ethylene

1953 • 12 citations

Les niveaux d'énergie électronique dans l'éthylène

1954 • 10 citations

The π-Energy Levels of Ethylene

1953 • 9 citations

Geometry of the Low-Lying Excited States of Ethylene and Butadiene

1965 • 7 citations

The Effect of 3p Electrons: Energy Levels of Ethylene

1955 • 7 citations

Angeregte Zustände des Äthylenmoleküls

1943 • 6 citations

A Modified Atomic Orbital Method with its Application to Ethylene and Oxygen

1954 • 1 citations