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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
Quantum theory of electronic friction
2022 R. Martinazzo, I. Burghardt
Quantum Vibrational Spectroscopy of Biomolecular Systems through Divide-and-Conquer Semiclassical Dynamics
2021 R. Conte, M. Ceotto
Quantum Vibrational Spectroscopy of Explicitly Solvated Thymidine in Semiclassical Approximation
2022 F. Gabas, R. Conte, M. Ceotto
Quasi-classical trajectory study of the adiabatic reactions occurring on the two lowest-lying electronic states of the LiH2+ system
2008 I. Pino, R. Martinazzo, G.F. Tantardini
Quasiclassical vibrational spectroscopy of the g-Quadruplex With Empirical Force Fields
2022 D. Moscato, F. Gabas, R. Conte, M. Ceotto
Radicals produced in the photopolymerization of multifunctional monomers, as probes of the polymeric structure
1996 E. Selli, C. Oliva
Raf Kinase Inhibitory Protein regulates the cAMP-dependent protein kinase signaling pathway through a positive feedback loop
2022 J. Lee, C. Olivieri, C. Ong, L.R. Masterson, S. Gomes, B.-. Lee, F. Schaefer, K. Lorenz, G. Veglia, M.R. Rosner
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