Rydberg series in small molecules

An Extended Hückel Theory. I. Hydrocarbons

1963 • 4,551 citations

Use of the CNDO Method in Spectroscopy. I. Benzene, Pyridine, and the Diazines

1968 • 1,273 citations

Electronic states of azabenzenes: A critical review

1967 • 354 citations

Infra-red and Raman spectra ot the diazines

1957 • 254 citations

On the Photoelectron Spectrum of O²

1970 • 252 citations

Mass Spectra of Nucleic Acid Derivatives. Pyrimidines

1965 • 230 citations

Photoelectron spectra of conjugated hydrocarbons and heteromolecules

1969 • 186 citations

The ESCA Spectra of Benzene and the Iso-electronic Series, Thiophene, Pyrrole and Furan

1971 • 182 citations

Study of the Electronic Structure of Molecules. IV. All-Electron SCF Wavefunction for the Ground State of Pyridine

1967 • 146 citations

Jahn-Teller effect in the vibrational structure of the photoelectron spectrum of benzene

1970 • 145 citations

Study of the Electronic Structure of Molecules. III. Pyrrole Ground-State Wavefunction

1967 • 145 citations

Transitions in the azines

1961 • 115 citations

The electronic structure of benzene

1970 • 113 citations

The Vacuum Ultraviolet Absorption Spectra of Cyclic Compounds. II. Tetrahydrofuran, Tetrahydropyran, 1,4-Dioxane and Furan¹

1951 • 109 citations

The Vacuum Ultraviolet Spectra of Cyclic Compounds. III. Amines¹

1953 • 103 citations

Semi-empirical Parameters in pi-Electron Systems. III. Heteroatomic Molecules Containing Nitrogen.

1968 • 94 citations

Rydberg series in small molecules

1971 • 93 citations

The vacuum ultraviolet spectra of pyrazine, pyrimidine, and pyridazine vapors

1965 • 87 citations

Photoelectron Spectra of Molecules. II. The Ionization Potentials of Azabenzenes and Azanaphthalenes

1969 • 83 citations

Charge Exchange and Ion-Molecule Reactions Observed in Double Mass Spectrometers

1967 • 79 citations

Rydberg series in small molecules

1972 • 78 citations

The electronic structure of pyridine

1969 • 74 citations

A self consistent field molecular orbital investigation of the importance of d orbital participation in the ground state of thiophene

1968 • 73 citations

Ultraviolet Absorption Spectrum of Pyrrole Vapor Including the Observation of Low-Energy Transitions in the Far Ultraviolet

1969 • 71 citations

SEMIEMPIRICAL SCF–LCAO–MO TREATMENT OF THIOPHENE, FURAN, AND PYRROLE

1965 • 67 citations

XIV. Photoelectron, uv, mass and electron impact spectra of s-triazine

1972 • 66 citations

Rydberg series in small molecules

1971 • 65 citations

Vibrational Spectra of Diazines

1956 • 65 citations

Absorption and Photoionization Coefficients of Furan Vapor

1958 • 64 citations

s-Tetrazine. II. Infrared Spectra

1961 • 62 citations

Bonding Contribution of Sulfur d Orbitals in Thiophene. An Extension of the Self-Consistent Field Molecular Orbital Method¹

1966 • 60 citations

Ab initio calculations on furan with a new computer program

1971 • 59 citations

Lowest Ionization Potentials of Some Nitrogen Heterocyclics

1968 • 54 citations

A Vibrational Analysis of the Absorption Spectrum of Furan in the Schumann Region

1940 • 54 citations

The Ultraviolet Absorption Spectrum of 1,3-Cyclopentadiene^*

1941 • 54 citations

An analysis of the photo-electron and U.V. spectra of the fluorobenzenes and its relevance to the position of the second π-ionization potential of benzene

1970 • 52 citations

A theoretical study of the UV spectra of dithienyls and thiophene

1964 • 49 citations

s-Tetrazine. I. High-Resolution Vapor-Phase Study of the Visible n→π Vibronic Absorption Band Systems

1961 • 48 citations

Electron impact studies. XVIII. Mass spectra of pyridazines, phthalazines, and related compounds

1967 • 46 citations

Semi-empirical Parameters in pi-Electron Systems. XI. Calculations of the Electronic Structure of Some Nitrogen Heterocycles Including pi-Electrons and sigma Lone Pairs.

1971 • 45 citations

Self consistent field molecular orbital calculation for pyrrole

1963 • 40 citations

Comments on “Lowest Ionization Potentials of Some Nitrogen Heterocyclics”

1969 • 35 citations

Analysis of the infrared and raman spectra of s-tetrazine-d0 and -d2

1968 • 35 citations

A triplet-singlet transition of s-tetrazine

1971 • 31 citations

Totally symmetric fundamental vibrational frequencies of pyrimidine-h4 and -d4 vapors

1964 • 26 citations

Semi-empirical Parameters in pi-Electron Systems. VI. Heteroatomic Molecules Containing Ether-oxygen.

1969 • 25 citations

A self consistent field molecular orbital treatment of furan including all valence electrons

1968 • 22 citations

A self consistent field molecular orbital treatment of pyrrole and pyrrole anion including all valence electrons

1968 • 19 citations

Probable Formation of Cyclobutadiene-Type Cations in the Mass-Spectral Decomposition of Pyridazines and Tetrazines

1967 • 19 citations

A semiempirical <scp>SCF</scp>–<scp>LCAO</scp>–<scp>MO</scp> treatment of some oxygen‐ and nitrogen‐containing heterocyclic molecules

1969 • 17 citations

The mass spectrum of NO2

1970 • 11 citations

Semi-empirical Parameters in pi-Electron Systems. X. The Nitrogen-Nitrogen Bond and Nitrogen-Methyl Bond.

1970 • 11 citations