Sfoglia per Rivista THE JOURNAL OF CHEMICAL PHYSICS
Atomistic Simulation of Discotic Liquid Crystals: Transition from Isotropic to Columnar Phase Example
2007-01-01 Cristinziano, Pier Luigi; LELJ GAROLLA DI BARD, Francesco
Classical Trajectory Study of the Molecular Dissociation Dynamics of Formaldehyde: H2CO -> H2 + CO
1992-01-01 Y. T., Chang; Minichino, Camilla; W. H., Miller
From Concepts to Algorithms for the Characterization of Reaction Mechanisms- H2CS as a Case Study
1994-01-01 Minichino, Camilla; V., Barone
H2O Photodissociation Dynamics Based on Potential Energy Surfaces from Density Functional Calculations
1995-01-01 M. L., Doublet; Rosa, Angela Maria; G. J., Kroes; E. J., Baerends
Matrix isolation studies on metal coordinated oxianions. The shape of molecular MClO4, MClO3, MReO4 and EuWO4 systems
1984-01-01 L., Bencivenni; K. A., Gingerich; H. M., Nagarathna; Teghil, Roberto
Note: Assessment of the SCAN+rVV10 functional for the structure of liquid water
2017-01-01 Wiktor, J.; Ambrosio, F.; Pasquarello, A.
Picosecond absorption saturation dynamics in neutral [MrR'timdt)] metal-dithiolenes
2003-01-01 P., Romaniello; LELJ GAROLLA DI BARD, Francesco; T., Cassano; R., Tommasi; L., Nitti; M. C., Aragoni; C., Denotti; F. A., Devillanova; F., Isaia; V., Lippolis
Redox levels in aqueous solution: Effect of van der Waals interactions and hybrid functionals
2015-01-01 Ambrosio, F.; Miceli, G.; Pasquarello, A.
S2p core level pectroscopy of short chain oligothiophenes
2017-01-01 Baseggio, O.; Toffoli, D.; Stener, M.; Fronzoni, G.; de Simone, M.; Grazioli, C.; Coreno, M.; Guarnaccio, A.; Santagata, A.; D'Auria, M.
Singlet fission in linear chains of molecules
2014-01-01 Ambrosio, F.; Troisi, A.
Study of the electronic structure of short chain oligothiophenes
2017-01-01 Grazioli, G.; Baseggio, O.; Stener, M.; Fronzoni, G.; de Simone, M.; Coreno, M.; Guarnaccio, A.; Santagata, A.; D'Auria, M.
The Computation of Electron Transfer Rates: The Non Adiabatic Instanton Solution
1995-01-01 J., Cao; Minichino, Camilla; G. A., Voth
The role of micro- and nanomorphology of rough silver surfaces of different nature in surface enhanced Raman scattering effect: A combined study of Scanning Force Microscopy and Low-frequency Raman modes
2000-01-01 B., Pignataro; DE BONIS, Angela; G., Compagnini; P., Sassi; R. S., Cataliotti
Time-dependent Density Functional Calculations on the Electronic Absorption Spectrum of Free Base Porphin
1999-01-01 S. J. A., VAN GISBERGEN; Rosa, Angela Maria; Ricciardi, Giampaolo; E. J., Baerends
Vibrational Modulation Effects on the Hyperfine Coupling Constants of Fluoromethyl Radicals
1993-01-01 V., Barone; A., Grand; Minichino, Camilla; R., Subra
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