Quantenchemische Berechnungen zur Molekülstruktur konjugierter Verbindungen. III.. Vergleichende π‐ und Allvalenzelektronen‐MO‐Berechnungen an Butadien‐(1,3), Glyoxal und Biphenyl

An Extended Hückel Theory. I. Hydrocarbons

1963 • 4,551 citations

Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems

1966 • 1,906 citations

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

1953 • 1,620 citations

Electronic Structure and Spectra of Nitrogen Heterocycles

1957 • 1,211 citations

Electronegativity. I. Orbital Electronegativity of Neutral Atoms

1962 • 1,116 citations

Some remarks on the Pariser-Parr-Pople method

1964 • 1,007 citations

Average structures of butadiene, acrolein, and glyoxal determined by gas electron diffraction and spectroscopy

1968 • 405 citations

Ground states of .sigma.-bonded molecules. X. Extension of the MINDO/2[modified intermediate negelect of differential overlap/2] method to compounds containing nitrogen and/or oxygen

1970 • 201 citations

Conformational Analysis

1966 • 189 citations

Steric Effects. I. Van der Waals Potential Energy Curves

1948 • 187 citations

Thermodynamic Properties of Gaseous 1,3-Butadiene and the Normal Butenes above 25°C Equilibria in the System 1,3-Butadiene, n-Butenes, and n-Butane

1946 • 178 citations

Ground states of .sigma.-bonded molecules. I. Semiempirical S.C.F. molecular orbital treatment of hydrocarbons

1967 • 133 citations

A Semi-empirical Approach to the SCF Molecular Orbitals

1955 • 124 citations

Some remarks on the Pariser-Parr-Pople method

1970 • 124 citations

The 4875 Å Band System of cis Glyoxal

1971 • 118 citations

Failure of the CNDO/2 method to predict the barriers and conformations in some conjugated systems

1971 • 116 citations

A reparametrization of the CNDO method I. Hydrocarbons

1969 • 107 citations

Conjugation and non-bonded interaction

1963 • 93 citations

Success of the PCILO method and failure of the CNDO/2 method for predicting conformations in some conjugated systems

1973 • 83 citations

cis-trans isomerization about the carbon-nitrogen double bond. Structures of the isomers of N-benzylideneaniline

1971 • 62 citations

A CNDO/2 Study of the Mechanism of Isomerization and Conformation of Azobenzene.

1971 • 50 citations

A CNDO study of steric effects in biphenyl

1968 • 33 citations

The stereoisomers of retinal—A theoretical study of energy differences

1969 • 26 citations

A CNDO/2 calculation on stilbene

1970 • 25 citations

Konformationsuntersuchungen mit Hilfe der Energieaufteilungsanalyse im CNDO‐, INDO‐ und NDDO‐Formalismus; Die Rotationsbarriere in der Ameisensäure

1972 • 24 citations

Zur Konformation sterisch gehinderter Aryläthylene

1971 • 21 citations

A study by the extended Hu¨ckel method of the conformation of biphenyl and 1-phenylnaphthalene

1969 • 19 citations

On the S-cis-S-trans isomerism of the cyclohexene ring with respect to the polyene chain in retinals, carotenoids, vitamins A and related compounds

1969 • 18 citations

The preferred conformation of 3-phenylsydnone, an E.H.T.-M.O. calculation

1967 • 18 citations

Mehrelektronenmodelle in der organischen Chemie

2006 • 17 citations

Conformational analysis and electronic structure of acetanilide

1970 • 15 citations

Konformationsuntersuchungen mit Hilfe der Energieaufteilungsanalyse im CNDO‐, INDO‐ und NDDO‐Formalismus; Die Rotationsbarrieren des Hydrazins aus der Sicht der Wechselwirkung benachbarter »lone pair«‐Orbitale

1973 • 13 citations

CNDO/2‐Berechnungen zur Konformationsisomerie des Furfurols

1973 • 12 citations

Etude conformationnelle dans l'approximation CNDO/BW: barrière de rotation interne de petites molécules organiques

1973 • 11 citations

On the role of core repulsion in the prediction of the energy levels of ?-conformers

1972 • 7 citations

EHT‐Berechnungen an Nicotinamid‐Modellen

1971 • 6 citations

Zur konformativen Struktur von Acryl‐ und Zimtsäure

1972 • 4 citations