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The Journal of Chemical Physics
|
June 10, 2017
A quantum method for thermal rate constant calculations from stationary phase approximation of the thermal flux-flux correlation function integral
Chiara Aieta, Michele Ceotto
The Journal of Physical Chemistry. A
|
February 4, 2016
An Efficient Computational Approach for the Calculation of the Vibrational Density of States
Chiara Aieta, Fabio Gabas, Michele Ceotto
Journal of Chemical Theory and Computation
|
January 7, 2022
Heavy Atom Tunneling in Organic Reactions at Coupled Cluster Potential Accuracy with a Parallel Implementation of Anharmonic Constant Calculations and Semiclassical Transition State Theory
Giacomo Mandelli, Chiara Aieta, Michele Ceotto
The Journal of Chemical Physics
|
April 30, 2022
The complex vibrational spectrum of proline explained through the adiabatically switched semiclassical initial value representation
Giacomo Botti, Chiara Aieta, Riccardo Conte
Chemical Science
|
November 19, 2025
Solvation or not solvation: tunneling reactions of molecules embedded in cryogenic matrices
Giacomo Mandelli, Chiara Aieta, Michele Ceotto
Journal of Chemical Theory and Computation
|
September 12, 2024
Is Quantum Above-Barrier Reflection Important for Molecular Barrier Crossing Rates?
Chiara Aieta, Michele Ceotto, Eli Pollak
Journal of Chemical Theory and Computation
|
March 2, 2019
Parallel Implementation of Semiclassical Transition State Theory
Chiara Aieta, Fabio Gabas, Michele Ceotto
Chemical Science
|
February 5, 2026
Quantum vibrational spectroscopy with classical trajectories
Riccardo Conte, Chiara Aieta, Michele Ceotto
The Journal of Physical Chemistry Letters
|
October 31, 2023
Coupled Cluster Semiclassical Estimates of Experimental Reaction Rates: The Interconversion of Glycine Conformer VIp to Ip
Giacomo Mandelli, Luca Corneo, Chiara Aieta
The Journal of Chemical Physics
|
December 9, 2020
Representing molecular ground and excited vibrational eigenstates with nuclear densities obtained from semiclassical initial value representation molecular dynamics
Chiara Aieta, Gianluca Bertaina, Marco Micciarelli, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 21) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
June 10, 2017
A quantum method for thermal rate constant calculations from stationary phase approximation of the thermal flux-flux correlation function integral
Chiara Aieta, Michele Ceotto
The Journal of Physical Chemistry. A
|
February 4, 2016
An Efficient Computational Approach for the Calculation of the Vibrational Density of States
Chiara Aieta, Fabio Gabas, Michele Ceotto
Journal of Chemical Theory and Computation
|
January 7, 2022
Heavy Atom Tunneling in Organic Reactions at Coupled Cluster Potential Accuracy with a Parallel Implementation of Anharmonic Constant Calculations and Semiclassical Transition State Theory
Giacomo Mandelli, Chiara Aieta, Michele Ceotto
The Journal of Chemical Physics
|
April 30, 2022
The complex vibrational spectrum of proline explained through the adiabatically switched semiclassical initial value representation
Giacomo Botti, Chiara Aieta, Riccardo Conte
Chemical Science
|
November 19, 2025
Solvation or not solvation: tunneling reactions of molecules embedded in cryogenic matrices
Giacomo Mandelli, Chiara Aieta, Michele Ceotto
Journal of Chemical Theory and Computation
|
September 12, 2024
Is Quantum Above-Barrier Reflection Important for Molecular Barrier Crossing Rates?
Chiara Aieta, Michele Ceotto, Eli Pollak
Journal of Chemical Theory and Computation
|
March 2, 2019
Parallel Implementation of Semiclassical Transition State Theory
Chiara Aieta, Fabio Gabas, Michele Ceotto
Chemical Science
|
February 5, 2026
Quantum vibrational spectroscopy with classical trajectories
Riccardo Conte, Chiara Aieta, Michele Ceotto
The Journal of Physical Chemistry Letters
|
October 31, 2023
Coupled Cluster Semiclassical Estimates of Experimental Reaction Rates: The Interconversion of Glycine Conformer VIp to Ip
Giacomo Mandelli, Luca Corneo, Chiara Aieta
The Journal of Chemical Physics
|
December 9, 2020
Representing molecular ground and excited vibrational eigenstates with nuclear densities obtained from semiclassical initial value representation molecular dynamics
Chiara Aieta, Gianluca Bertaina, Marco Micciarelli, et al.
Page
of 3