Sfoglia per Autore
Lattice dynamics of TTF-CA across the neutral-ionic transition.
2006 M. Masino; A. Girlando; A. Brillante; R.G. Della Valle; E. Venuti; N. Drichko ; M. Dressel
Ab initio molecular dynamics study of ascorbic acid in aqueous solution.
2007 F. Costanzo; M. Sulpizi; J. VandeVondele; R.G. Della Valle; M. Sprik
Local mode and normal mode models for molecules with two non equivalent C-H bonds
2007 A. Gambi; R.G. Della Valle
Do computed crystal structures of non-polar molecules depend on the electrostatic interactions? The case of tetracene
2008 R.G. Della Valle; E. Venuti; A. Brillante; A. Girlando
Polarized Raman spectra of a rubrene single crystal
2008 E. Venuti; I. Bilotti; R.G. Della Valle; A. Brillante; P. Ranzieri; M. Masino; A. Girlando
Car-Parrinello MD simulations for the Na+-phenylalanine complex in aqueous solution.
2008 F. Costanzo; R.G. Della Valle
Probing polymorphs of organic semiconductors by lattice phonon Raman microscopy
2008 A. Brillante; I. Bilotti; R.G. Della Valle; E. Venuti; A. Girlando
First principles study of alkali-tyrosine complexes: alkali solvation and redox properties.
2008 F. Costanzo; M. Sulpizi; R.G. Della Valle; M. Sprik
Direct evidence of overdamped Peierls-coupled modes in tetrathiafulvalene-chloranil temperature-induced phase transition
2008 A. Girlando; M. Masino; A. Painelli; N. Dricko; M. Dressel; A. Brillante; R.G. Della Valle; E. Venuti
The four polymorphic modifications of the semiconductor dibenzo-tetrathiafulvalene
2008 A. Brillante; I. Bilotti; R.G. Della Valle; E. Venuti; S. Milita; C. Dionigi; F. Borgatti; A. N. Lazar; F. Biscarini; M. Mas-Torrent; N. Oxtoby; N. Crivillers; J. Veciana; C. Rovira; M. Leufgen; G. Schmidt; L. W. Molenkamp
Are crystal polymorphs predictable? The case of sexithiophene
2008 R.G. Della Valle; E. Venuti; A. Brillante; A. Girlando J
Influence of intermolecular vibrations on the electronic coupling in organic semiconductors: A molecular dynamics and quantum-chemical study of the anthracene and perfluoropentacene molecular crystals
2009 N.G. Martinelli; Y. Olivier; S. Athanasopoulos; M.C. Ruiz Delgado; K.R. Pigg; D.A. da Silva Filho; R.S. Sa'nchez-Carrera; E. Venuti; R.G. Della Valle; J.L. Bre'das; D. Beljonne; J. Cornil
Molecular dynamics simulations for a pentacene monolayer on amorphous silica
2009 R. G. Della Valle; E. Venuti; A. Brillante; A. Girlando
Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test
2009 G.M. Day; T.G. Cooper; A.J. Cruz-Cabeza; K.E. Hejczyk; H.L. Ammon; S.X.M. Boerrigter; J.S. Tan; R.G. Della Valle; E. Venuti; J. Jose; S.R. Gadre; G.R. Desiraju; T.S. Thakur; B.P. van Eijck; J.C. Facelli; V.E. Bazterra; M.B. Ferraro; D.W.M. Hofmann; M.A. Neumann; F.J.J. Leusen; J. Kendrick; S.L. Price; A.J. Misquitta; P.G. Karamertzanis; G.W.A. Welch; H.A. Scheraga; Y.A. Arnautova; M.U. Schmidt; J. van de Streek; A.K. Wolfq; B. Schweizerr
Polymorphism and phonon dynamics of alpha-quaterthiophene
2009 A. Girlando; P. Ranzieri; S. Tavazzi; M. Campione; L. Raimondo; I. Bilotti; A. Brillante; R. G. Della Valle; E. Venuti
Peierls and Holstein carrier-phonon coupling in crystalline rubrene
2010 A. Girlando; L. Grisanti; M. Masino; I. Bilotti; A. Brillante; R. G. Della Valle; E. Venuti
DFT investigation of oligothiophenes on the Si(001) Surface
2010 F. Costanzo; R. G. Della Valle; E. Venuti; A. Brillante; P.L. Silvestrelli
Spectroscopic and structural characterization of two polymorphs of 1,1,4,4-tetraphenyl-1,3-butadiene
2010 A. Girlando; S. Ianelli; I. Bilotti; A. Brillante; R. G. Della Valle; E. Venuti; M. Campione; S. Mora; L. Silvestri; P. Spearman; S. Tavazzi
Towards crystal structure prediction of complex organic compounds - a report on the fifth blind test.
2011 D.A. Bardwell; C.S. Adjiman; Y.A. Arnautova; E. Bartashevich; S.X.M. Boerrigter; D.E. Braun; A.J. Cruz-Cabeza; G.M. Day; R.G. Della Valle; G.R. Desiraju; B.P. van Eijck; J.C. Facelli; M.B. Ferraro; D. Grillo; M. Habgood; D.W.M. Hofmann; F. Hofmann; K.V.J. Jose; P.G. Karamertzanis; A.V. Kazantsev; J. Kendrick; L.N. Kuleshova; F.J.J. Leusen; A.V. Maleev; A.J. Misquitta; S. Mohamed; R.J. Needs; M.A. Neumann; D. Nikylov; A.M. Orendt; R. Pal; C.C. Pantelides; C.J. Pickard; L.S. Price; S.L. Price; H.A. Scheraga; J. van de Streek; T.S. Thakur; S. Tiwari; E. Venuti; I.K. Zhitkov
Absorption, photoluminescence and polarized Raman spectra of a four-fold alkoxy-substituted phthalocyanine liquid-crystal
2011 E. Venuti; R.G. Della Valle; I. Bilotti; A. Brillante; M. Cavallini; A. Calo'; Y.H. Geerts
Titolo | Autore(i) | Anno | Periodico | Editore | Tipo | File |
---|---|---|---|---|---|---|
Lattice dynamics of TTF-CA across the neutral-ionic transition. | M. Masino; A. Girlando; A. Brillante; R.G. Della Valle; E. Venuti; N. Drichko ; M. Dressel | 2006-01-01 | CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |
Ab initio molecular dynamics study of ascorbic acid in aqueous solution. | F. Costanzo; M. Sulpizi; J. VandeVondele; R.G. Della Valle; M. Sprik | 2007-01-01 | MOLECULAR PHYSICS | - | 1.01 Articolo in rivista | - |
Local mode and normal mode models for molecules with two non equivalent C-H bonds | A. Gambi; R.G. Della Valle | 2007-01-01 | MOLECULAR PHYSICS | - | 1.01 Articolo in rivista | - |
Do computed crystal structures of non-polar molecules depend on the electrostatic interactions? The case of tetracene | R.G. Della Valle; E. Venuti; A. Brillante; A. Girlando | 2008-01-01 | JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY | - | 1.01 Articolo in rivista | - |
Polarized Raman spectra of a rubrene single crystal | E. Venuti; I. Bilotti; R.G. Della Valle; A. Brillante; P. Ranzieri; M. Masino; A. Girlando | 2008-01-01 | JOURNAL OF PHYSICAL CHEMISTRY. C | - | 1.01 Articolo in rivista | - |
Car-Parrinello MD simulations for the Na+-phenylalanine complex in aqueous solution. | F. Costanzo; R.G. Della Valle | 2008-01-01 | JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL | - | 1.01 Articolo in rivista | - |
Probing polymorphs of organic semiconductors by lattice phonon Raman microscopy | A. Brillante; I. Bilotti; R.G. Della Valle; E. Venuti; A. Girlando | 2008-01-01 | CRYSTENGCOMM | - | 1.01 Articolo in rivista | - |
First principles study of alkali-tyrosine complexes: alkali solvation and redox properties. | F. Costanzo; M. Sulpizi; R.G. Della Valle; M. Sprik | 2008-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | - |
Direct evidence of overdamped Peierls-coupled modes in tetrathiafulvalene-chloranil temperature-induced phase transition | A. Girlando; M. Masino; A. Painelli; N. Dricko; M. Dressel; A. Brillante; R.G. Della Valle; E. Ve...nuti | 2008-01-01 | PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS | - | 1.01 Articolo in rivista | - |
The four polymorphic modifications of the semiconductor dibenzo-tetrathiafulvalene | A. Brillante; I. Bilotti; R.G. Della Valle; E. Venuti; S. Milita; C. Dionigi; F. Borgatti; A. N. ...Lazar; F. Biscarini; M. Mas-Torrent; N. Oxtoby; N. Crivillers; J. Veciana; C. Rovira; M. Leufgen; G. Schmidt; L. W. Molenkamp | 2008-01-01 | CRYSTENGCOMM | - | 1.01 Articolo in rivista | - |
Are crystal polymorphs predictable? The case of sexithiophene |
R.G. Della Valle; E. Venuti; A. Brillante; A. Girlando J |
2008-01-01 | JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY | - | 1.01 Articolo in rivista | - |
Influence of intermolecular vibrations on the electronic coupling in organic semiconductors: A molecular dynamics and quantum-chemical study of the anthracene and perfluoropentacene molecular crystals |
N.G. Martinelli; Y. Olivier; S. Athanasopoulos; M.C. Ruiz Delgado; K.R. Pigg; D.A. da Silva Fil...ho; R.S. Sa'nchez-Carrera; E. Venuti; R.G. Della Valle; J.L. Bre'das; D. Beljonne; J. Cornil |
2009-01-01 | CHEMPHYSCHEM | - | 1.01 Articolo in rivista | - |
Molecular dynamics simulations for a pentacene monolayer on amorphous silica | R. G. Della Valle; E. Venuti; A. Brillante; A. Girlando | 2009-01-01 | CHEMPHYSCHEM | - | 1.01 Articolo in rivista | - |
Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test |
G.M. Day; T.G. Cooper; A.J. Cruz-Cabeza; K.E. Hejczyk; H.L. Ammon; S.X.M. Boerrigter; J.S. Tan;... R.G. Della Valle; E. Venuti; J. Jose; S.R. Gadre; G.R. Desiraju; T.S. Thakur; B.P. van Eijck; J.C. Facelli; V.E. Bazterra; M.B. Ferraro; D.W.M. Hofmann; M.A. Neumann; F.J.J. Leusen; J. Kendrick; S.L. Price; A.J. Misquitta; P.G. Karamertzanis; G.W.A. Welch; H.A. Scheraga; Y.A. Arnautova; M.U. Schmidt; J. van de Streek; A.K. Wolfq; B. Schweizerr |
2009-01-01 | ACTA CRYSTALLOGRAPHICA. SECTION B, STRUCTURAL SCIENCE | - | 1.01 Articolo in rivista | - |
Polymorphism and phonon dynamics of alpha-quaterthiophene |
A. Girlando; P. Ranzieri; S. Tavazzi; M. Campione; L. Raimondo; I. Bilotti; A. Brillante; R. G.... Della Valle; E. Venuti |
2009-01-01 | CHEMPHYSCHEM | - | 1.01 Articolo in rivista | - |
Peierls and Holstein carrier-phonon coupling in crystalline rubrene | A. Girlando; L. Grisanti; M. Masino; I. Bilotti; A. Brillante; R. G. Della Valle; E. Venuti | 2010-01-01 | PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS | - | 1.01 Articolo in rivista | - |
DFT investigation of oligothiophenes on the Si(001) Surface | F. Costanzo; R. G. Della Valle; E. Venuti; A. Brillante; P.L. Silvestrelli | 2010-01-01 | JOURNAL OF PHYSICAL CHEMISTRY. C | - | 1.01 Articolo in rivista | - |
Spectroscopic and structural characterization of two polymorphs of 1,1,4,4-tetraphenyl-1,3-butadiene |
A. Girlando; S. Ianelli; I. Bilotti; A. Brillante; R. G. Della Valle; E. Venuti; M. Campione; S.... Mora; L. Silvestri; P. Spearman; S. Tavazzi |
2010-01-01 | CRYSTAL GROWTH & DESIGN | - | 1.01 Articolo in rivista | - |
Towards crystal structure prediction of complex organic compounds - a report on the fifth blind test. | D.A. Bardwell; C.S. Adjiman; Y.A. Arnautova; E. Bartashevich; S.X.M. Boerrigter; D.E. Braun; A.J.... Cruz-Cabeza; G.M. Day; R.G. Della Valle; G.R. Desiraju; B.P. van Eijck; J.C. Facelli; M.B. Ferraro; D. Grillo; M. Habgood; D.W.M. Hofmann; F. Hofmann; K.V.J. Jose; P.G. Karamertzanis; A.V. Kazantsev; J. Kendrick; L.N. Kuleshova; F.J.J. Leusen; A.V. Maleev; A.J. Misquitta; S. Mohamed; R.J. Needs; M.A. Neumann; D. Nikylov; A.M. Orendt; R. Pal; C.C. Pantelides; C.J. Pickard; L.S. Price; S.L. Price; H.A. Scheraga; J. van de Streek; T.S. Thakur; S. Tiwari; E. Venuti; I.K. Zhitkov | 2011-01-01 | ACTA CRYSTALLOGRAPHICA. SECTION B, STRUCTURAL SCIENCE | - | 1.01 Articolo in rivista | - |
Absorption, photoluminescence and polarized Raman spectra of a four-fold alkoxy-substituted phthalocyanine liquid-crystal |
E. Venuti; R.G. Della Valle; I. Bilotti; A. Brillante; M. Cavallini; A. Calo'; Y.H. Geerts |
2011-01-01 | JOURNAL OF PHYSICAL CHEMISTRY. C | - | 1.01 Articolo in rivista | - |
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