Experimental and theoretical study of the circular dichroism spectra of oxa- and thia- [2.2] metacyclophane

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

1985 • 12,977 citations

Approximate Self-Consistent Molecular Orbital Theory. I. Invariant Procedures

1965 • 1,701 citations

A fast intrinsic localization procedure applicable for a b i n i t i o and semiempirical linear combination of atomic orbital wave functions

1989 • 1,631 citations

Individualized configuration selection in CI calculations with subsequent energy extrapolation

1974 • 1,246 citations

Energy extrapolation in CI calculations

1975 • 1,001 citations

Individualized configuration selection in CI calculations with subsequent energy extrapolation

1974 • 831 citations

Small Gaussian Expansions of Slater-Type Orbitals

1970 • 449 citations

Novel packing material for optical resolution: (+)-poly(triphenylmethyl methacrylate) coated on macroporous silica gel

1981 • 336 citations

Towards an accurate molecular orbital theory for excited states: the benzene molecule

1992 • 216 citations

The MNDOC method, a correlated version of the MNDO model

1981 • 200 citations

Conformational analysis. CIV. Structures, energies, and electronic absorption spectra of the [n]paracyclophanes

1974 • 139 citations

Separation of enantiomers by high-performance liquid chromatography on triacetylcellulose

1980 • 86 citations

MNDOC study of excited states

1981 • 83 citations

Stereochemie der [2.2]Metacyclophane

1972 • 78 citations

Experimental and quantum-theoretical investigation of the circular dichroism spectrum of R-methyloxirane

1991 • 62 citations

Theoretical study of [4]paracyclophane and its Dewar benzene and prismane valence isomers

1992 • 34 citations

Models for π-π Interactions in Molecular Metals. Ionization Energies, Electronic Structure, and Through-Space/Through-Bond Interactions in [2.2]paracyclophane. A Hartree-Fock-Slater Study

1984 • 27 citations

Ab initio CI study of the optical rotatory strengths of HSSH

1991 • 24 citations

Random-phase approximation (RPA) calculations and analysis of the electronic states of cyclopropane and of the chiroptical properties of its methyl derivatives

1986 • 21 citations

Neue planar-chirale Moleküle – Synthese, Enantiomerentrennung, Circulardichroismus, Racemisierungsschwelle und Röntgenstrukturanalyse in der Dithia [2.2]metacyclophan-Reihe

1983 • 18 citations

Localized molecular orbitals in CI calculations of organic molecules

1992 • 13 citations

Electronic structure calculations of a chiral [2.2]metacyclophane

1988 • 10 citations

Thia- and oxa-[2.2]metacyclophanes: synthesis, helicity, and stereoselective formation of sulphoxides

1986 • 8 citations

The fluorine effect on the circular dichroism: ab initio CI study of the optical rotatory strengths in fluoro- and methyl-cyclopropanone

1991 • 7 citations