Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
A dynamical approach to the calculation of thermal reaction rate constants
2008 Conte, Riccardo
A Dynamics Investigation of the C + CH+ → C2++ H Reaction on an ab Initio Bond-Order-Like Potential
2016 Pacifici, Leonardo; Pastore, Mariachiara; Garcia, Ernesto; Laganà, Antonio; Rampino, Sergio
Dynamics of electro-opto-mechanical effects in swollen nematic elastomers
2008 Fukunaga, Atsushi; Urayama, Kenji; Takigawa, Toshikazu; De Simone, Antonio; Teresi, Luciano
The dynamics of the prototype abstraction reaction Cl(2P3/2,1/2) + H2: A comparison of crossed molecular beam experiments with exact quantum scattering calculations on coupled ab initio potential energy surfaces
2004 Balucani, N.; Skouteris, Dimitrios; Capozza, G.; Segoloni, E.; Casavecchia, P.; Alexander, M. H.; Capecchi, G.; Werner, H.
E T1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods
2020 Folkestad, S. D.; Kjonstad, E. F.; Myhre, R. H.; Andersen, J. H.; Balbi, A.; Coriani, S.; Giovannini, T.; Goletto, L.; Haugland, T. S.; Hutcheson, A.; Hoyvik, I. -M.; Moitra, T.; Paul, A. C.; Scavino, M.; Skeidsvoll, A. S.; Tveten, H.; Koch, H.
E-HEME STRUCTURE IN CU,ZN SUPEROXIDE DISMUTASE FROM HAEMOPHILUS DUCREYI BY X-RAY ABSORPTION SPECTROSCOPY. ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS
2010 Dangelo, P; Zitolo, A; Pacello, F; Mancini, Giordano; Proux, O; Hazemanne, J. L.; Desideri, D; Battistoni,
Editorial
2004 Barone, Vincenzo
EFFECT OF DIFFERENT SHIELDING GROUPS ON THE POLY-ELECTROLYTE BEHAVIOR OF POLYAMINES
1983 Barbucci, R; Casolaro, M; Danzo, N; Barone, Vincenzo; Ferruti, P; Angeloni, A.
Effect of halloysite nanotubes filler on polydopamine properties
2019 Massaro, M.; Armetta, F.; Cavallaro, G.; Chillura Martino, D. F.; Gruttadauria, M.; Lazzara, G.; Riela, S.; D'Ischia, M.
The effect of intermolecular interactions on the electric properties of helium and argon. I. Ab initio calculation of the interaction induced polarizability and hyperpolarizability in He-2 and Ar-2
1999 Hattig, C; Larsen, H; Olsen, J; Jorgensen, P; Koch, H; Fernandez, B; Rizzo, A
The effect of intermolecular interactions on the electric properties of helium and argon. II. The dielectric, refractivity, Kerr, and hyperpolarizability second virial coefficients
1999 Koch, Henrik; Hättig, Christof; Larsen, Helena; Olsen, Jeppe; Jørgensen, Poul; Fernández, Berta; Rizzo, Antonio
The effect of intermolecular interactions on the electric properties of helium and argon. III - Quantum statistical calculations of the dielectric second virial coefficients
2002 Rizzo, Antonio; Hättig, Christof; Fernández, Berta; Koch, Henrik
Effect of metal ions on the kinetics of tyrosine oxidation catalyzed by tyrosinase
1985 Palumbo, A.; Misuraca, G.; D'Ischia, M.; Prota, G.
Effect of metal ions on the rearrangement of dopachrome
1987 Palumbo, A.; D'Ischia, M.; Misuraca, G.; Prota., G.
Effect of the Environment on Vibrational Infrared and Circular Dichroism Spectra of (S)-Proline
2005 Cappelli, Chiara; S., Monti; A., Rizzo
Effect of the Zn2+ and Hg2+ Ions on the Structure of Liquid Water
2011 Migliorati, V; Mancini, Giordano; Chillemi, G; Zitolo, A; Dangelo, P.
An Effective and Automated Processing of Resonances in Vibrational Perturbation Theory Applied to Spectroscopy
2022 Yang, Qin; Bloino, Julien
Effective Computational Route to Vibrational Optical Activity Spectra of Chiral Molecules in Aqueous Solution
2018 Giovannini, Tommaso; Del Frate, Gianluca; Lafiosca, Piero; Cappelli, Chiara
An Effective Fully Polarizable QM/MM Approach to Model Vibrational Circular Dichroism Spectra of Systems in Aqueous Solutions
2016 Giovannini, Tommaso; Olszowka, Marta; Cappelli, Chiara
Effective fully polarizable QM/MM approaches to compute Raman and Raman Optical Activity spectra in aqueous solution
2023 Sepali, Chiara; Lafiosca, Piero; Gómez, Sara; Giovannini, Tommaso; Cappelli, Chiara
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