A third blind test of crystal structure prediction GM Day, WDS Motherwell, HL Ammon, SXM Boerrigter, RG Della Valle, ... Acta Crystallographica Section B: Structural Science 61 (5), 511-527, 2005 | 526 | 2005 |
Significant progress in predicting the crystal structures of small organic molecules–a report on the fourth blind test GM Day, TG Cooper, AJ Cruz-Cabeza, KE Hejczyk, HL Ammon, ... Acta Crystallographica Section B: Structural Science 65 (2), 107-125, 2009 | 473 | 2009 |
Towards crystal structure prediction of complex organic compounds–a report on the fifth blind test DA Bardwell, CS Adjiman, YA Arnautova, E Bartashevich, SXM Boerrigter, ... Acta Crystallographica Section B: Structural Science 67 (6), 535-551, 2011 | 454 | 2011 |
Glycerol condensed phases Part I. A molecular dynamics study R Chelli, P Procacci, G Cardini, RG Della Valle, S Califano Physical Chemistry Chemical Physics 1 (5), 871-877, 1999 | 168 | 1999 |
Molecular dynamics simulation of silica liquid and glass RG Della Valle, HC Andersen The Journal of chemical physics 97 (4), 2682-2689, 1992 | 147 | 1992 |
Peierls and Holstein carrier-phonon coupling in crystalline rubrene A Girlando, L Grisanti, M Masino, I Bilotti, A Brillante, RG Della Valle, ... Physical Review B 82 (3), 035208, 2010 | 141 | 2010 |
The oxidation of tyrosine and tryptophan studied by a molecular dynamics normal hydrogen electrode F Costanzo, M Sulpizi, RGD Valle, M Sprik The Journal of Chemical Physics 134 (24), 2011 | 136 | 2011 |
Probing polymorphs of organic semiconductors by lattice phonon Raman microscopy A Brillante, I Bilotti, RG Della Valle, E Venuti, A Girlando CrystEngComm 10 (8), 937-946, 2008 | 124 | 2008 |
Epitaxial growth of π-stacked perfluoropentacene on graphene-coated quartz I Salzmann, A Moser, M Oehzelt, T Breuer, X Feng, ZY Juang, D Nabok, ... ACS nano 6 (12), 10874-10883, 2012 | 118 | 2012 |
Structure, Stoichiometry, and Charge Transfer in Cocrystals of Perylene with TCNQ-Fx T Salzillo, M Masino, G Kociok-Köhn, D Di Nuzzo, E Venuti, ... Crystal Growth & Design 16 (5), 3028-3036, 2016 | 111 | 2016 |
High-pressure densification of silica glass: A molecular-dynamics simulation RG Della Valle, E Venuti Physical Review B 54 (6), 3809, 1996 | 108 | 1996 |
Raman phonon spectra of pentacene polymorphs A Brillante, RG Della Valle, L Farina, A Girlando, M Masino, E Venuti Chemical physics letters 357 (1-2), 32-36, 2002 | 94 | 2002 |
Influence of intermolecular vibrations on the electronic coupling in organic semiconductors: the case of anthracene and perfluoropentacene NG Martinelli, Y Olivier, S Athanasopoulos, MC Ruiz Delgado, KR Pigg, ... ChemPhysChem 10 (13), 2265-2273, 2009 | 91 | 2009 |
Phonons and structures of tetracene polymorphs at low temperature and high pressure E Venuti, RG Della Valle, L Farina, A Brillante, M Masino, A Girlando Physical Review B 70 (10), 104106, 2004 | 86 | 2004 |
Predicting the anchoring of liquid crystals at a solid surface: 5-cyanobiphenyl on cristobalite and glassy silica surfaces of increasing roughness OM Roscioni, L Muccioli, RG Della Valle, A Pizzirusso, M Ricci, C Zannoni Langmuir 29 (28), 8950-8958, 2013 | 76 | 2013 |
The four polymorphic modifications of the semiconductor dibenzo-tetrathiafulvalene A Brillante, I Bilotti, RG Della Valle, E Venuti, S Milita, C Dionigi, F Borgatti, ... CrystEngComm 10 (12), 1899-1909, 2008 | 75 | 2008 |
Characterization of phase purity in organic semiconductors by lattice-phonon confocal Raman mapping: Application to pentacene A Brillante, I Bilotti, RG DELLA VALLE, E Venuti, M Masino, A Girlando Advanced Materials 17, 2549-2553, 2005 | 74 | 2005 |
Inherent structures of crystalline pentacene RG Della Valle, E Venuti, A Brillante, A Girlando The Journal of chemical physics 118 (2), 807-815, 2003 | 73 | 2003 |
Crystal structure of oligoacenes under high pressure M Oehzelt, A Aichholzer, R Resel, G Heimel, E Venuti, RG Della Valle Physical Review B 74 (10), 104103, 2006 | 70 | 2006 |
Intramolecular and low-frequency intermolecular vibrations of pentacene polymorphs as a function of temperature RG Della Valle, E Venuti, L Farina, A Brillante, M Masino, A Girlando The Journal of Physical Chemistry B 108 (6), 1822-1826, 2004 | 70 | 2004 |