Geometrical relaxation in the excited singlet states of propylene

Individualized configuration selection in CI calculations with subsequent energy extrapolation

1974 • 1,246 citations

Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniques

1978 • 1,007 citations

Stability Conditions for the Solutions of the Hartree—Fock Equations for Atomic and Molecular Systems. Application to the Pi-Electron Model of Cyclic Polyenes

1967 • 587 citations

Occupation numbers of natural orbitals as a criterion for biradical character. Different kinds of biradicals

1980 • 287 citations

Detailed orbital theory of substituent effects. Charge transfer, polarization, and the methyl group

1974 • 266 citations

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

1933 • 244 citations

Die elektronischen Eigenschaften von Diradikalen

1972 • 236 citations

Strong conformational consequences of hyperconjugation

1972 • 217 citations

Topics in current chemistry

1975 • 196 citations

Non-adiabatic coupling matrix elements <Ψz|∂/∂Q|Ψβ> for large CI wavefunctions

1980 • 184 citations

The sudden polarization effect and its possible role in vision

1979 • 179 citations

Stability Conditions for the Solutions of the Hartree–Fock Equations for Atomic and Molecular Systems. II. Simple Open-Shell Case

1970 • 172 citations

All-valence-electron configuration mixing calculations for the characterization of the 1(π, π*) states of ethylene

1975 • 163 citations

Sudden polarization: pyramidalization of twisted ethylene

1979 • 139 citations

Theory of Photochemical Reactions

1976 • 137 citations

Conversion of a photon to an electrical signal by sudden polarisation in the N-retinylidene visual chromophore

1975 • 131 citations

Combined SCF and CI Calculations for the Low-Lying Rydberg and Valence Excited States of Ethylene

1971 • 110 citations

Stability Conditions for the Solutions of the Hartree–Fock Equations for Atomic and Molecular Systems. III. Rules for the Singlet Stability of Hartree–Fock Solutions of π-Electronic Systems

1970 • 101 citations

A new view of the dynamics of singlet cis-trans photoisomerization

1979 • 99 citations

Potential energy and dipole moment surfaces for simultaneous torsion and pyramidalization of ethylene in its lowest-lying singlet excited states: A CI study of the sudden polarization effect

1980 • 95 citations

Steric aspects of the photochemistry of conjugated dienes and trienes

1973 • 91 citations

Sudden polarization in zwitterionic excited states of organic intermediates in photochemical reactions. On a possible mechanism for bicyclo[3.1.0]hex-2-ene formation

1978 • 54 citations

Coexistence of two oppositely polarized zwitterionic forms on the lowest excited singlet surface of terminally twisted butadiene. Two-funnel photochemistry with dual stereochemistry

1976 • 54 citations

Photochemistry of ethylidenecyclooctenes. Mechanism of bicyclobutane formation

1970 • 50 citations

Effect of carbon atom pyramidalization on the bonding in ethylene

1979 • 47 citations

Extent of charge separation in suddenly polarized twisted excited states of linear polyenes

1977 • 40 citations

Use of configuration selection methods to study the sudden polarization effect

1979 • 35 citations

The role of nonadiabatic coupling and sudden polarization in the photoisomerization of olefins

1980 • 32 citations

An SCF and MRD-CI study of the ground and excited states of the He + H2 system. II. Quenching of HD (1Σ+u) fluorescence and other energy transfer processes

1979 • 25 citations

Further investigations about the zwitterionic excited states of twisted conjugated molecules

1979 • 20 citations

General properties of the Hartree-Fock problem demonstrated on the frontier orbital model

1975 • 18 citations

On the nature of the ’’sudden polarization’’ effect in low lying singlet excited states

1978 • 14 citations

Polarization and vibronic-interaction of zwitterionic states of olefins

1979 • 11 citations

Further investigations about the zwitterionic excited states of twisted conjugated molecules

1979 • 10 citations

Some Consequences of the Nonlinearity of the Hartree-Fock Approach, Demonstrated on the Example of the PPP Model for Closed Shell Alternant Hydrocarbons

1972 • 10 citations