Relation between effective conjugation, vibrational force constants and electronic properties in polyconjugated materials

Ground states of molecules. 38. The MNDO method. Approximations and parameters

1977 • 5,066 citations

Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene

1983 • 1,502 citations

Amplitude and phase modes intrans-polyacetylene: Resonant Raman scattering and induced infrared activity

1987 • 338 citations

Spectroscopic studies on doped polyacetylene and β-carotene

1980 • 313 citations

A simple interpretation of the vibrational spectra of undoped, doped and photoexcited polyacetylene: Amplitude mode theory in the GF formalism

1988 • 231 citations

Photogenerated Gap States in Polyacetylene

1982 • 226 citations

Molecular Force Fields of s-trans-1,3-Butadiene and the Second Stable Conformer

1983 • 113 citations

Theoretical Study of Optical Absorption Curves of Molecules. III: Force Constant and Bond-Bond Interaction in Conjugated Molecules

1974 • 83 citations

A molecular viewpoint of lattice dynamics and spectra of conducting polymers

1989 • 69 citations

Polarized infrared spectra of highly oriented polyacetylenes

1984 • 47 citations

Vibrational spectroscopic study on partly hydrogenated t r a n s-polyacetylenes

1984 • 44 citations

Structure, lattice dynamics and spectra of pristine and doped polythiophene

1989 • 19 citations

Amplitude mode theory and classical molecular dynamics: The interpretation of the vibrational infrared and Raman spectra of polyparaphenylene

1989 • 18 citations

Infrared active vibrations of photogenerated solitons in polyacetylene: Shape modes

1987 • 11 citations