Sfoglia per SSD
Quantum Dynamics with Electronic Friction
2022 R. Martinazzo, I. Burghardt
Quantum effects in an exoergic, barrierless reaction at high collision energies
2005 R. Martinazzo, G. F. Tantardini
Quantum instanton approximation for thermal rate constants of chemical reactions
2003 W.H. Miller, Y. Zhao, M. Ceotto, S. Yang
A quantum journey into uncharted waters
2022 R. Conte
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
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
Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Strategy for Excited States: Coupling to Time-Dependent Density Functional Theory and Equation-of-Motion Coupled Cluster
2020 G. Macetti, A. Genoni
Quantum mechanics/extremely localized molecular orbital embedding technique: Theoretical foundations and further validation
2021 G. Macetti, A. Genoni
Quantum Mechanics/Extremely Localized Molecular Orbital Method: A Fully Quantum Mechanical Embedding Approach for Macromolecules
2019 G. Macetti, A. Genoni
A quantum method for thermal rate constant calculations from stationary phase approximation of the thermal flux-flux correlation function integral
2017 C. Aieta, M. Ceotto
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics
2022 C.D. Aieta, M. Micciarelli, G. Bertaina, M. Ceotto
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics
2021 C. Aieta, M. Micciarelli, G. Bertaina, M. Ceotto
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics
2021 C. Aieta, M. Micciarelli, G. Bertaina, M. Ceotto
QUANTUM OBSERVABLES OF OPEN-SHELL SYSTEMS. A THEORETICAL STUDY
2022 G. Bruno
Quantum reaction rate from higher derivatives of the thermal flux-flux autocorrelation function at time zero
2005 M. Ceotto, S. Yang, W.H. Miller
Quantum studies of Hydrogen dynamics on graphite surfaces
2007 R. Martinazzo
Quantum Study of Eley-Rideal formation of hydrogen on graphite (0001) surface in the cold energy regime
2006 S. Casolo, R. Martinazzo, G.F. Tantardini
Quantum Study of Eley-Rideal formation of hydrogen on graphite (0001) surface in the cold energy regime
2006 S. Casolo, R. Martinazzo, G.F. Tantardini
Quantum study of Eley-Rideal reaction and collision induced desorption of hydrogen atoms on a graphite surface. I, H-chemisorbed case
2006 R. Martinazzo, G.F. Tantardini
Quantum study of Eley-Rideal reaction and collision induced desorption of hydrogen atoms on a graphite surface. II. H-physisorbed case
2006 R. Martinazzo, G.F. Tantardini
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