Sfoglia per Autore
Investigating molecular quantum vibrational frequencies with semiclassical dynamics: theory and application to systems of astrochemical interest
2018 R. Conte, F. Gabas, G. DI LIBERTO, M. Ceotto
“Divide-and-conquer” semiclassical molecular dynamics : An application to water clusters
2018 G. Di Liberto, R. Conte, M. Ceotto
Semiclassical vibrational spectroscopy : the importance of quantum anharmonicity in supra-molecular systems
2018 R. Conte, G. Di Liberto, F. Gabas, M. Ceotto
A Concerted Investigation For Metal/Semiconductor Nanointerface : Interlayer Charge Transfer At Ag/TiO2
2018 V. Pifferi, G. Di Liberto, L. Lo Presti, M. Ceotto, L. Falciola
Divide-and-Conquer Semiclassical Dynamics: A Viable Route for Spectroscopic Calculations of High Dimensional Molecular Systems
2018 G. DI LIBERTO, R. Conte, F. Gabas, M. Ceotto
Divide-and-Conquer Semiclassical Dynamics: A Viable Method for Vibrational Spectra Calculations of High Dimensional and Anharmonic Molecular Systems
2018 G. DI LIBERTO, F. Gabas, R. Conte, M. Ceotto
Interlayer Charge Transfer At Metal/Semiconductor Interface: A Concerted Investigation for Ag/TiO2
2018 V. Pifferi, G. DI LIBERTO, L. LO PRESTI, M. Ceotto, L. Falciola
Semiclassical Methods for Spectroscopic Calculations of High Dimensional Molecular Systems
2018 M. Ceotto, R. Conte, G. DI LIBERTO, F. Gabas, M. Buchholz, F. Grossmann, M. Micciarelli, G. Bertaina, J. SUAREZ CORUJO
A quantum mechanical insight into S(N)2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl-center dot center dot center dot CH3Cl pre-reaction complex with the VENUS suite of codes
2018 X. Ma, G. Di Liberto, R. Conte, W.L. Hase, M. Ceotto
Protonated glycine supramolecular systems: The need for quantum dynamics
2018 F. Gabas, G. Di Liberto, R. Conte, M. Ceotto
Semiclassical Molecular Dynamics for Spectroscopic Calculations of Complex Systems
2019 M. Ceotto, R. Conte, G. Di Liberto, F. Gabas, M. Buchholz, F. Grossmann, M. Micciarelli, G. Bertaina, J. Suarez Corujo
NEW SEMICLASSICAL THEORIES FOR VIBRATIONAL SPECTROSCOPY
2019 G. DI LIBERTO
Quantum Mechanical Methods for Spectroscopic Calculations of High Dimensional Molecular Systems
2019 M. Ceotto, R. Conte, G. Di Liberto, F. Gabas, M. Buchholz, F. Grossmann, M. Micciarelli, A. Jaime Suarez
Semiclassical Molecular Dynamics and its Implementation for Spectroscopic Calculations of High Dimensional and Condensed Phase Molecular Systems
2019 M. Ceotto, R. Conte, G. DI LIBERTO, F. Gabas, M. Buchholz, F. Grossmann, M. Micciarelli, A. Jaime Suarez
A Concerted Electrochemical and Theoretical Investigation of the Ag/TiO2 nano-heterojunction
2019 L. Falciola, V. Pifferi, G. Di Liberto, L. Lo Presti, M. Ceotto
Vibrational investigation of nucleobases by means of divide and conquer semiclassical dynamics
2019 F. Gabas, G. Di Liberto, M. Ceotto
Semiclassical molecular dynamics for spectroscopic calculations of high dimensional and condensed phase molecular systems
2019 M. Ceotto, R. Conte, G. Di Liberto, F. Gabas, M. Micciarelli, C. Aieta, G. Bertaina, M. Cazzaniga, M. Buchholz, F. Grossmann, J. Suarez
Semiclassical Molecular Dynamics : a useful Tool for Spectroscopic Interpretation
2019 M. Ceotto, R. Conte, G. Di Liberto, F. Gabas, M. Micciarelli, C. Aieta, G. Bertaina, M. Cazzaniga, M. Buchholz, F. Grossmann, J. Suarez Corujo
Reduced rovibrational coupling Cartesian dynamics for semiclassical calculations: Application to the spectrum of the Zundel cation
2019 G. Bertaina, G. Di Liberto, M. Ceotto
The international EAN survey on neurological symptoms in patients with COVID-19 infection
2020 E. Moro, A. Priori, E. Beghi, R. Helbok, L. Campiglio, C.L. Bassetti, E. Bianchi, L.F. Maia, S. Ozturk, F. Cavallieri, M. Zedde, J. Sellner, D. Bereczki, M. Rakusa, G. Di Liberto, A. Sauerbier, A. Pisani, A. Macerollo, R. Soffietti, P. Taba, M. Crean, A. Twardzik, C. Oreja-Guevara, B. Bodini, T.J. Jenkins, T.J. von Oertzen
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