Sfoglia per Autore
Comparison of experimental and ab initio intensity parameters
1988-01-01 M., Gussoni; M. N., Ramos; Castiglioni, Chiara; Zerbi, Giuseppe
Ab initio counterpart of infrared atomic charges. Comparison with charges obtained from electrostatic potentials.
1988-01-01 M. N., Ramos; M., Gussoni; Castiglioni, Chiara; Zerbi, Giuseppe
Interpretation of vibrational spectra of pristine, doped and photoinduced polyacetylene.
1988-01-01 Castiglioni, Chiara; J. T., LOPEZ NAVARRETE; M., Gussoni; Zerbi, Giuseppe
A simple interpretation of the vibrational spectra of undoped, doped and photoexcited polyacetylene: amplitude mode theory in the GF formalism.
1988-01-01 Castiglioni, Chiara; M., Gussoni; J. T., LOPEZ NAVARRETE; Zerbi, Giuseppe
Amplitude mode theory and classical molecular dyna¬mics: the interpretation of the vibrational infrared and Raman spectra of polyparaphenylene.
1989-01-01 Castiglioni, Chiara; M., Gussoni; Zerbi, Giuseppe
Interpretation of the vibrational spectra of conducting polymers by means of an effective coordinate.
1989-01-01 Zerbi, Giuseppe; Castiglioni, Chiara; B., Tian; M., Gussoni
Ab initio counterpart of infrared atomic charges: charge fluxes.
1989-01-01 M., Gussoni; M. N., Ramos; Castiglioni, Chiara; Zerbi, Giuseppe
A molecular viewpoint of lattice dynamics and spectra of conducting polymers.
1989-01-01 Zerbi, Giuseppe; Castiglioni, Chiara; J. T., LOPEZ NAVARRETE; Tian, Bogang; M., Gussoni
Corrected Mulliken charges for small molecules.
1989-01-01 M. N., Ramos; M., Gussoni; Castiglioni, Chiara; Zerbi, Giuseppe
Experimental and theoretical molecular force fields of polyenes in the light of the amplitude mode theory.
1989-01-01 M., Gussoni; Castiglioni, Chiara; Zerbi, Giuseppe
A simple way to obtain information on charge distribution in molecules directly from IR spectra: the case of CH bonds.
1989-01-01 Castiglioni, Chiara; M., Gussoni; Zerbi, Giuseppe
Infrared intensities: from intensity parameters to an overall understanding of the spectrum.
1990-01-01 M., Gussoni; Castiglioni, Chiara; M, ; N., Ramos; M., Rui; Zerbi, Giuseppe
Charge distribution in halogenated hydrocarbons and intermolecular interactions. A way for determining compatibility in polymer blends.
1990-01-01 M., Rui; M. N., Ramos; Castiglioni, Chiara; M., Gussoni; Zerbi, Giuseppe
Atomic charges in fluoroethylenes.
1990-01-01 M. N., Ramos; M., Gussoni; Castiglioni, Chiara; Zerbi, Giuseppe
Vibrational spectroscopy of polyconjugated materials: polyacetylene and polyenes.
1991-01-01 M., Gussoni; Castiglioni, Chiara; Zerbi, Giuseppe
Vibrational spectroscopy of polyconjugated aromatic materials with electrical non linear properties
1991-01-01 Zerbi, Giuseppe; M., Gussoni; Castiglioni, Chiara
Atomic charges and charge fluxes in cis and trans C2H2X2 (X = F, Cl): an ab-initio study.
1991-01-01 M. N., Ramos; R., Fausto; J. J., TEXEIRA DIAS; Castiglioni, Chiara; M., Gussoni; Zerbi, Giuseppe
Charge mobility in sigma-bonded molecules: the infrared spectrum of polymethylene chains in the solid and liquid phases.
1991-01-01 Castiglioni, Chiara; M., Gussoni; Zerbi, Giuseppe
Understanding of vibrational spectra of polyconjugated molecules by means of an effective conjugation coordinate.
1991-01-01 Zerbi, Giuseppe; Castiglioni, Chiara; M., Gussoni
Infrared and Raman activity of polyenes in pristine and doped state.
1991-01-01 Castiglioni, Chiara; R., Rabaioli; M., Gussoni; Zerbi, Giuseppe
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