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Mostrati risultati da 1 a 20 di 106
Titolo Autore(i) Anno Periodico Editore Tipo File
Computed electronic and vibrational spectra of the most stable isomers of C48N12 azafullerene E. Emanuele; F. Negri; G. Orlandi 2004-01-01 CHEMICAL PHYSICS - 1.01 Articolo in rivista -
PHOTOCHEMICAL AND ELECTRONIC PROPERTIES OF CONJUGATED BIS(AZO) COMPOUNDS: AN EXPERIMENTAL AND COMPUTATIONAL STUDY F. CISNETTI; R. BALLARDINI; A. CREDI; M.T. GANDOLFI; S. MASIERO; F. NEGRI; S. PIERACCINI; G. P. S...PADA 2004-01-01 CHEMISTRY-A EUROPEAN JOURNAL - 1.01 Articolo in rivista -
Rational design of helical columnar packing in single crystals Z. Wang; V. Enkelmann; F. Negri; K. Müllen 2004-01-01 ANGEWANDTE CHEMIE. INTERNATIONAL EDITION - 1.01 Articolo in rivista -
PHOTOCHEMICAL AND ELECTRONIC PROPERTIES OF CONJUGATED BIS(AZO) COMPOUNDS: AN EXPERIMENTAL AND COMPUTATIONAL STUDY F. Cisnetti; R. Ballardini; A. Credi; M. T. Gandolfi; S. Masiero; F. Negri; S. Pieraccini; G. P. ...Spada 2004-01-01 - sine nomine 4.02 Riassunto (Abstract) -
PHOTOCHEMICAL AND ELECTRONIC PROPERTIES OF CONJUGATED BIS(AZO) COMPOUNDS: AN EXPERIMENTAL AND COMPUTATIONAL STUDY F. Cisnetti; R. Ballardini; A. Credi; M. T. Gandolfi; S. Masiero; F. Negri; S. Pieraccini; G. P. ...Spada 2004-01-01 - s.n 4.02 Riassunto (Abstract) -
Resonance Raman contribution to the D band of carbon materials: modelling defects with quantum-chemistry F. Negri; E. Di Donato; M. Tommasini; C. Castiglioni; G. Zerbi; K. Müllen 2004-01-01 THE JOURNAL OF CHEMICAL PHYSICS - 1.01 Articolo in rivista -
Graphitic Molecules with Partial "Zig-Zag" Periphery Z. Wang; Ž. Tomović; M. Kastler; R. Pretsch; F. Negri; V. Enkelmann; K. Müllen 2004-01-01 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - 1.01 Articolo in rivista -
Hydrogen storage in carbon based materials: a quantum-chemical and molecular dynamics investigation F. Negri; P. Carbone; N. Saendig 2004-01-01 - Sauro Pierucci 4.01 Contributo in Atti di convegno -
Quantum chemical modeling of Infrared and Raman activities in lithium-doped amorphous carbon nanostructures: hexa-peri-hexabenzocoronene as a model for hydrogen-rich carbon materials G. Brancolini; F. Negri 2004-01-01 CARBON - 1.01 Articolo in rivista -
''Wavelength-dependent Raman activity of D2h symmetry Polycyclic Aromatic Hydrocarbons in the D-band and acoustic phonon regions E. di Donato; M. Tommasini; G. Fustella; L. Brambilla; C. Castiglioni; G. Zerbi; C. D. Simpson; K.... Müllen; F. Negri 2004-01-01 CHEMICAL PHYSICS - 1.01 Articolo in rivista -
Reactions of N+ ions with benzene: a theoretical study on the C6NH6+ potential energy surface M. Di Stefano; M. Rosi; A. Sgamellotti; F. Negri 2004-01-01 CHEMICAL PHYSICS - 1.01 Articolo in rivista -
Origin, Nature and Fate of the Fluorescent State of the Green Fluorescent Protein Chromophore at the CASPT2//CASSCF resolution E. Martin Navarro; F. Negri; M. Olivucci 2004-01-01 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - 1.01 Articolo in rivista -
SHAPE PERSISTENCE AND TRAPPING IN POLYPHENYLENE DENDRIMERS: NEW CARBON BASED SENSOR MATERIALS? P. Carbone; F. Negri; K. Müllen 2005-01-01 - sine nomine 4.02 Riassunto (Abstract) -
Solvent effect on the vibrational activity and photodynamics of the Green Fluorescent Protein Chromophore: a Quantum-Chemical Study. P. ALTOE; F. BERNARDI; M. GARAVELLI; ORLANDI G.; F. NEGRI 2005-01-01 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - 1.01 Articolo in rivista -
VIBRATIONAL ACTIVITY AND PHOTOISOMERIZATION PATHS OF THE GREEN FLUORESCENT PROTEIN CHROMOPHORE: VACUO AND SOLVENT EFFECTS BY QM-COMPUTATIONS P. Altoè; G. Orlandi; F. Negri; M. Garavelli 2005-01-01 - sine nomine 4.02 Riassunto (Abstract) -
SHAPE PERSISTENCE AND TRAPPING IN POLYPHENYLENE DENDRIMERS: NEW CARBON BASED SENSOR MATERIALS? P. Carbone; F. Negri; K. Müllen 2005-01-01 - sine nomine 4.02 Riassunto (Abstract) -
Electronic and Vibronic Spectra of Molecular Systems: Models and Simulations based on Quantum Chemically Computed Molecular Parameters F. Negri; G. Orlandi 2005-01-01 - Elsevier 2.01 Capitolo / saggio in libro -
Oxidative cyclodehydrogenation reaction for the design of extended 2D and 3D carbon nanostructures:a theoretical study M. Di Stefano; F. Negri; P. Carbone; K. Müllen 2005-01-01 CHEMICAL PHYSICS - 1.01 Articolo in rivista -
The ring opening reaction of chromenes: a photochemical mode-dependent transformation A. Migani; P. L. Gentili; F. Negri; M. Olivucci; A. Romani; G. Favaro; R. S. Becker 2005-01-01 JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY - 1.01 Articolo in rivista -
UPS spectra of lithium doped carbon nanostructures: quantum-chemical simulations F. Negri; G. Brancolini 2005-01-01 FULLERENES, NANOTUBES AND CARBON NANOSTRUCTURES - 1.01 Articolo in rivista -
Mostrati risultati da 1 a 20 di 106
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