Sfoglia per Autore
Formation of weak hydrogen bonded complexes as predicted by experimental atomic charges.
1983-01-01 M., Gussoni; Castiglioni, Chiara; Zerbi, Giuseppe
Experimental atomic charges from infrared intensities. A comparison with ab initio-values.
1983-01-01 M., Gussoni; Castiglioni, Chiara; Zerbi, Giuseppe
Stabilization energies of weak hydrogen bonded molecular complexes. Comparison of simple models
1984-01-01 Castiglioni, Chiara; M., Gussoni; Zerbi, Giuseppe
Charge distribution from infrared intensities: charges on hydrogen atoms and hydrogen bonds.
1984-01-01 M., Gussoni; Castiglioni, Chiara; Zerbi, Giuseppe
Physical meaning of electrooptical parameters derived from infrared intensities.
1984-01-01 M., Gussoni; Castiglioni, Chiara; Zerbi, Giuseppe
On the enhancement of the electric dipole moment in molecular complexes.
1984-01-01 Castiglioni, Chiara; M., Gussoni; Zerbi, Giuseppe
Molecular aspects, vibrational spectroscopy and dyna¬mics of polyacetylene.
1985-01-01 Zerbi, Giuseppe; G., Zannoni; M., Gussoni; Castiglioni, Chiara
Intensity and frequency vibrational spectroscopy of conducting polymers.
1985-01-01 Zerbi, Giuseppe; M., Gussoni; Castiglioni, Chiara
Experimental charge distribution in polyacetylenes.
1985-01-01 Castiglioni, Chiara; M., Gussoni; M., Miragoli; Zerbi, Giuseppe
Charge distribution from infrared intensities: which CH bonds form hydro-gen bonds
1985-01-01 M., Gussoni; Castiglioni, Chiara; Zerbi, Giuseppe
Probing the structure of polymer blends by vibrational spectroscopy: the case of poly(ethylene oxyde) and poly(methylmetacrylate) blends.
1985-01-01 G., RAMANA RAO; Castiglioni, Chiara; M., Gussoni; E., Martuscelli; Zerbi, Giuseppe
Vibrational intensities in molecules with strained bonds: cyclopropane.
1985-01-01 M., Gussoni; Castiglioni, Chiara; Zerbi, Giuseppe
Intramolecular electrical and dynamical interactions in formaldehyde: as discussion based on infrared intensity data
1985-01-01 Castiglioni, Chiara; M., Gussoni; Zerbi, Giuseppe
Derivation of charge distribution from infrared intensities: the case of polyacetylene.
1985-01-01 M., Gussoni; Castiglioni, Chiara; M., Miragoli; G., Lugli; Zerbi, Giuseppe
Molecular point charges as derived from infrared intensities and from ab initio calculations.
1986-01-01 M., Gussoni; Castiglioni, Chiara; Zerbi, Giuseppe
Peierls distortion in trans polyacetylene: evidence from infrared intensities.
1986-01-01 Castiglioni, Chiara; M., Gussoni; Zerbi, Giuseppe
Characteristic infrared intensities of CH bonds.
1986-01-01 Castiglioni, Chiara; M., Gussoni; Zerbi, Giuseppe
Ab initio counterpart of infrared atomic charges.
1987-01-01 M., Gussoni; M. N., Ramos; Castiglioni, Chiara; Zerbi, Giuseppe
Charge fluxes and electron delocalization in conduc¬ting polymers from in-frared intensities.
1987-01-01 Zerbi, Giuseppe; Castiglioni, Chiara; S., Sala; M., Gussoni
FTIR spectra (frequencies and intensities) of poly(paraphenylenes)
1988-01-01 Castiglioni, Chiara; M., Gussoni; J. T., LOPEZ NAVARRETE; 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
Comparison of experimental and ab initio intensity parameters
1988-01-01 M., Gussoni; M. N., Ramos; Castiglioni, Chiara; 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
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
Corrected Mulliken charges for small molecules.
1989-01-01 M. N., Ramos; M., Gussoni; 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
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
Ab initio counterpart of infrared atomic charges: charge fluxes.
1989-01-01 M., Gussoni; M. N., Ramos; Castiglioni, Chiara; Zerbi, Giuseppe
Atomic charges in fluoroethylenes.
1990-01-01 M. N., Ramos; M., Gussoni; Castiglioni, Chiara; 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
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
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
Understanding of vibrational spectra of polyconjugated molecules by means of an effective conjugation coordinate.
1991-01-01 Zerbi, Giuseppe; Castiglioni, Chiara; M., Gussoni
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
Infrared and Raman activity of polyenes in pristine and doped state.
1991-01-01 Castiglioni, Chiara; R., Rabaioli; M., Gussoni; Zerbi, Giuseppe
Electronic mobility in alternating ethylene-tetrafluoroethylene copolymers: a spectroscopic study
1992-01-01 S., Radice; N., DEL FANTI; Castiglioni, Chiara; DEL ZOPPO, MIRELLA ELVIRA ANGELA; Zerbi, Giuseppe
NONLINEAR OPTICAL-RESPONSE TO STRONG APPLIED ELECTROMAGNETIC-FIELDS IN POLYCONJUGATED MATERIALS
1992-01-01 DEL ZOPPO, MIRELLA ELVIRA ANGELA; Castiglioni, Chiara; Zerbi, Giuseppe; M., Rui; M., Gussoni
Relaxation Contribution to Hyperpolarizability. A Semiclassical Model
1992-01-01 Castiglioni, Chiara; M., Gussoni; DEL ZOPPO, MIRELLA ELVIRA ANGELA; Zerbi, Giuseppe
Molecular Optics
1993-01-01 M., Gussoni; Castiglioni, Chiara; DEL ZOPPO, MIRELLA ELVIRA ANGELA; Zerbi, Giuseppe
NUCLEAR CONTRIBUTION TO HYPERPOLARIZABILITY OF POLYCONJUGATED COMPOUNDS - ROLE OF VIBRATIONAL INTENSITIES
1993-01-01 DEL ZOPPO, MIRELLA ELVIRA ANGELA; Castiglioni, Chiara; M., Veronelli; Zerbi, Giuseppe
Vibrational Raman Spectroscopy of Polyconjugated Organic Oligomers and Polymers
1993-01-01 Castiglioni, Chiara; DEL ZOPPO, MIRELLA ELVIRA ANGELA; Zerbi, Giuseppe
Stereoelectronic effects in polythiophenes.
1993-01-01 Benicori, T.; Berlin, A.; Brenna, E.; Pagani, G.; Sanniccolo', F.; Sozzani, P.; Moro, G.; Pitea, D.; Castiglioni, Chiara; Zerbi, Giuseppe; Zotti, G.
Confinement Potential and pi electron delocalization in polyconjugated organic materials
1994-01-01 V., Hernandez; Castiglioni, Chiara; DEL ZOPPO, MIRELLA ELVIRA ANGELA; Zerbi, Giuseppe
Trans effect of lone-pairs on individual XH bonds (X = C or N): an ab-initio study.
1994-01-01 N. B., DA COSTA; A. J. A., Aquino; M. N., Ramos; Castiglioni, Chiara; Zerbi, Giuseppe
Vibrational analysis as a tool for detecting electronic mobility. The case of the alternating Ethylene- tetrafluoroethylene copolymers.
1994-01-01 S., Radice; N., DEL FANTI; Castiglioni, Chiara; DEL ZOPPO, MIRELLA ELVIRA ANGELA; Zerbi, Giuseppe
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