Structural investigations in organic molecules and crystals by means of molecular mechanics and x-ray diffraction

Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

1969 • 4,043 citations

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

1966 • 1,906 citations

On the rigid-body motion of molecules in crystals

1968 • 940 citations

Calculation of ground and excited state potential surfaces of conjugated molecules. I. Formulation and parametrization

1972 • 736 citations

Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane and n-Alkane Molecules

1968 • 638 citations

Molecular Geometry. I. Machine Computation of the Common Rings

1961 • 586 citations

Critical evaluation of molecular mechanics

1973 • 568 citations

The crystal and molecular structure of biphenyl

1962 • 524 citations

On the Effects of Intramolecular van der Waals Forces

1960 • 292 citations

Conformational analysis. XC. Calculation of the structures of hydrocarbons containing delocalized electronic systems by the molecular mechanics method

1973 • 290 citations

A Model for the Lattice Dynamics of Naphthalene and Anthracene

1967 • 248 citations

The interaction curve of non-bonded carbon and hydrogen atoms and its application

1961 • 235 citations

The Molecular Structure of Biphenyl and some of its Derivatives.

1949 • 219 citations

Valence orbitals of cyclobutane

1971 • 191 citations

Perspektiven der Cycloheptatrien-Norcaradien-Valenztautomerie

1969 • 103 citations

The molecular structure of biphenyl in the gas and solid phases

1968 • 79 citations

The crystal and molecular structure of the complexes of 2,4,6-trinitrophenetole with caesium or potassium ethoxide (Meisenheimer salts)

1968 • 51 citations

Lattice-dynamical calculations on some rigid organic molecules

1973 • 44 citations

The influence of substituents on the equilibrium bisnorcaradiene–[10]annulene. The crystal and molecular structure of 11,11-dimethyltricyclo[4,4,1,01,6]undeca-2,4,7,9-tetraene

1973 • 43 citations

The crystal structure of p,p'-bitolyl

1969 • 42 citations

Experimental and theoretical determination of the crystal structure of 3,6-diphenyl-s-tetrazine

1972 • 38 citations

Crystal and molecular structure of 7-methoxycarbonyl-anti-1,6:8,13-dimethano[14]annulene

1973 • 32 citations

The crystal and molecular structure of 4,4'-dinitrodiphenyl

1963 • 31 citations

The structure of 2,4,6-trinitrophenetole

1968 • 31 citations

A theoretical study of the conformation of crystalline polyethylene

1971 • 19 citations

The structure of 1,6:8,13-butane-1,4-diylidene[14]annulene

1972 • 16 citations

Molecular structure of p-nitrobiphenyl. A comparison of the results of X-ray crystal analysis with semi-empirical calculations of conformation

1973 • 13 citations

Lattice dynamics in crystals of ‘rigid’ hydrocarbons

1973 • 12 citations

The crystal and molecular structure of tris(ethylthioxanthato)cobalt(III), Co(C₂H₅SCS₂)₃

1972 • 12 citations

On some problems connected with thermal motion in molecular crystals and a lattice-dynamical interpretation

1974 • 12 citations

The structure of 11,11-difluoro-1,6-methano[l0]annulene

1971 • 10 citations

Crystal and molecular structure of 1,6:8,13-propane-1,3-diylidene[14]-annulene

1972 • 8 citations

Thermal parameters of 11,11-dimethyltricyclo [4,4,1,01,6] undeca-2,4,7,9-tetraene: A lattice-dynamical discussion

1974 • 6 citations

Crystal, molecular and electronic structure of 1,1-diaryl-2-halogenoethylenes

1967 • 4 citations