Sfoglia per Chimica e Geologia
THEORETICAL APPROACH TO THE STRUCTURE AND HYPERFINE COUPLING-CONSTANTS OF NONRIGID RADICALS - THE CASE OF H2NO
1993 Barone, Vincenzo; Grand, A; Minichino, C; Subra, R.
Theoretical Characterization of Dimethyl Carbonate at Low Temperatures
2015 Boussassi, Rahma; Guizani, S.; Senent, M. L.; Jaïdane, N.
Theoretical characterization of the mechanism of Hg-C bond cleavage by halogenic acids
1996 Barone, Vincenzo; Bencini, A; Totti, F.
THEORETICAL CONFORMATIONAL-ANALYSIS OF PHOSPHONIUMACETYLCHOLINE AND ARSENIUMACETYLCHOLINE
1981 Barone, Vincenzo; Lelj, F; Russo, N; Gemelli, Ml
Theoretical electronic absorption and natural circular dichroism spectra of (-)-trans-cyclooctene
2000 Pedersen, Thomas Bondo; Koch, Henrik
THEORETICAL ENERGIES OF REPRESENTATIVE CARBON-CARBON BONDS
1995 Barone, Vincenzo; Fliszar, S.
Theoretical equations of state for temperature and electromagnetic field dependence of fluid systems, based on the quasi-Gaussian entropy theory
2002 Amadei, A; Apol, Mef; Brancato, Giuseppe; Di Nola, A.
Theoretical investigation into the influence of conformational equilibria on the water-exchange process in magnetic resonance imaging contrast agents
2004 U., Cosentino; D., Pitea; G., Moro; Barone, Vincenzo; A., Villa; R. N., Muller; F., Botteman
Theoretical Investigation of the Circularly Polarized Luminescence of a Chiral Boron Dipyrromethene (BODIPY) Dye
2020 Yang, Q.; Fuse', M.; Bloino, J.
THEORETICAL INVESTIGATION OF THE EPR-SPECTRUM OF THE CYCLOPROPYL RADICAL
1993 Barone, Vincenzo; Minichino, C; Faucher, H; Subra, R; Grand, A.
Theoretical investigation of the OH-initiated atmospheric degradation mechanism of CX2=CHX (X = H, F, Cl) by advanced quantum chemical and transition state theory methods
2024 Rais, Nadjib; Salta, Zoi; Tasinato, Nicola
THEORETICAL INVESTIGATION OF THE TORSIONAL POTENTIAL OF 2,2'-BIPYRIMIDINE
1993 Barone, Vincenzo; Cristinziano, P.
Theoretical modeling of open-shell molecules in solution: a QM/MM molecular dynamics approach
2008 Brancato, Giuseppe; N., Rega; M., Causà; Barone, Vincenzo
Theoretical modeling of spectroscopic properties of molecules in solution: an effective integrated approach based on localized basis sets and non-periodic boundary conditions
2007 N., Rega; Barone, Vincenzo; Brancato, Giuseppe; P., Cimino; O., Crescenzi; M., Pavone
Theoretical modeling of spectroscopic properties of molecules in solution: toward an effective dynamical discrete/continuum approach
2007 Brancato, Giuseppe; Barone, Vincenzo; Rega, N.
Theoretical models for the calculation of electric properties and raman spectra of molecules in solution
2014 Egidi, Franco
Theoretical models for Vibro-rotational Spectroscopy beyond the harmonic approximation
2015 Piccardo, Matteo
Theoretical Models to describe Time-Dependent and Nonequilibrium Solvation
2005 Caricato, Marco
Theoretical multilevel approach for studying the photophysical properties of organic dyes in solution
2010 Barone, Vincenzo; Bloino, J.; Monti, S.; Pedone, A.; Prampolini, G.
Theoretical study of a new building block for organic conductors: Tetrathiapentalene and its radical cation
1999 Adamo, C.; Arnaud, R.; Scalmani, G.; Mueller, H.; Sahli, F.; Barone, Vincenzo
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