Sfoglia per Autore
Reappraisal of the Spin Forbidden Unimolecular Chemistry of the Methoxy Cation.
1998-01-01 Aschi, Massimiliano; J. N., Harvey; C. A., Schalley; D., Schroeder; H., Schwarz
Spin-Forbidden Dehydrogenation of methoxy cation: a statistical view
1999-01-01 J. N., Harvey; Aschi, Massimiliano
Experimental and theoretical characterization of long-lived triplet state CH 3CH 2S + cations
2000-01-01 De, Moraes; P. R. P., Linnert; H., V.; Aschi, Massimiliano; Riveros, J. M.
FBeNg+. Suitable cations for the lightest noble gases salts?
2000-01-01 Aschi, Massimiliano; F., Grandinetti
The Rate of the thermal reaction between S+ (4S) and CO (1Sigma). A computational study
2001-01-01 Aschi, Massimiliano; A., Largo
A first-principle method to model perturbed electronic wavefunctions: the effect of an external homogeneous electric field
2001-01-01 Aschi, Massimiliano; R., Spezia; A., DI NOLA; A., Amadei
Extension of the Perturbed Matrix Method: application to a water molecule
2002-01-01 R., Spezia; Aschi, Massimiliano
Computational study of the catalytic domain of human neutrophil collagenase. Specific role of the S-3 and S '(3) subsites in the interaction with a phosphonate inhibitor
2002-01-01 Aschi, Massimiliano; D., Roccatano; F., Mazza; A., DI NOLA; C., Gallina; E., Gavuzzo; G., Pochetti; M. PIEPER AND H., Tschesche
Electronic properties of Formaldehyde in water: a theoretical study
2003-01-01 A., Amadei; M., D'Abramo; C., Zazza; Aschi, Massimiliano
The effect of protein conformational flexibility on the electronic properties of a chromophore
2003-01-01 R., Spezia; Aschi, Massimiliano; A., DI NOLA; M., DI VALENTIN; D. CARBONERA AND A., Amadei
Molecular dynamics simulation of the interaction between the complex iron-sulfur flavoprotein glutamate synthase and its substrates
2004-01-01 V. M., Coiro; A., Di Nola; M. A., Vanoni; Aschi, Massimiliano; A., Coda; B., Curti; D., Roccatano
On the performance of time-dependent density functional theory and polarizable continuum model in the study of aqueous formaldehyde
2004-01-01 Costantino, Zazza; Luigi, Bencivenni; Andrea, Grandi; Aschi, Massimiliano
A density functional theory study of hexafluoropropene: the low-lying singlet excited states and primary photodissociation channel
2004-01-01 Costantino, Zazza; Luigi, Bencivenni; Aschi, Massimiliano
A DFT study of the low-lying singlet excited states of the all-trans peridinin in vacuo
2004-01-01 Riccardo, Spezia; Costantino, Zazza; Amedeo, Palma; Andrea, Amadei; Aschi, Massimiliano
Theoretical modeling of enzyme reactions chemistry: the electron transfer of the reduction mechanism in CuZn Superoxide Dismutase
2004-01-01 M., D'Alessandro; Aschi, Massimiliano; M., Paci; A., Di Nola; A., Amadei
Statistical mechanical modeling of chemical reactions in complex systems: the reaction free energy surface
2004-01-01 A., Amadei; D'Alessandro, ; Aschi, Massimiliano
The effect of protein conformational flexibility on the electronic properties of a chromophore
2004-01-01 Aschi, Massimiliano; C., Zazza; R., Spezia; C., Bossa; A., DI NOLA; M. PACI AND A., Amadei
Gold-Catalyzed Reactions of 2-Alkynyl-phenylamines with α,β-Enones
2005-01-01 Alfonsi, M.; Arcadi, A.; Aschi, Massimiliano; Bianchi, G.; Marinelli, F.
Ground and excited electronic state thermodynamics of aqueous carbon monoxide: a theoretical study.
2005-01-01 M., D'Alessandro; F., Marinelli; M., D'Abramo; Aschi, Massimiliano; A., Di Nola; A., Amadei
Calculation of the Optical Rotatory Dispersion of solvated alanine by means oF the Perturbed Matrix Method
2005-01-01 M., D'Abramo; Aschi, Massimiliano; A., Di Nola; A., Amadei
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