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The Journal of Physical Chemistry Letters
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February 3, 2022
Quantum Vibrational Spectroscopy of Explicitly Solvated Thymidine in Semiclassical Approximation
Fabio Gabas, Riccardo Conte, 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
Journal of Chemical Theory and Computation
|
May 7, 2020
Semiclassical Vibrational Spectroscopy of Biological Molecules Using Force Fields
Fabio Gabas, Riccardo Conte, Michele Ceotto
Chemical Science
|
June 24, 2021
How many water molecules are needed to solvate one?
Alessandro Rognoni, Riccardo Conte, Michele Ceotto
The Journal of Chemical Physics
|
March 24, 2018
Simplified approach to the mixed time-averaging semiclassical initial value representation for the calculation of dense vibrational spectra
Max Buchholz, Frank Grossmann, Michele Ceotto
The Journal of Chemical Physics
|
August 17, 2010
Multiple coherent states semiclassical initial value representation spectra calculations of lateral interactions for CO on Cu(100)
Michele Ceotto, David Dell'Angelo, Gian Franco Tantardini
The Journal of Chemical Physics
|
February 15, 2013
Accelerated direct semiclassical molecular dynamics using a compact finite difference Hessian scheme
Michele Ceotto, Yu Zhuang, William L Hase
Physical Review Letters
|
July 22, 2017
Semiclassical "Divide-and-Conquer" Method for Spectroscopic Calculations of High Dimensional Molecular Systems
Michele Ceotto, Giovanni Di Liberto, Riccardo Conte
The Journal of Chemical Physics
|
January 8, 2018
"Divide and conquer" semiclassical molecular dynamics: A practical method for spectroscopic calculations of high dimensional molecular systems
Giovanni Di Liberto, Riccardo Conte, Michele Ceotto
The Journal of Chemical Physics
|
March 3, 2005
Quantum reaction rate from higher derivatives of the thermal flux-flux autocorrelation function at time zero
Michele Ceotto, Sandy Yang, William H Miller
Page
of 7
Search research articles
Search
Showing results (21-30 of 70) with videos related to
Sort By:
Page
of 7
The Journal of Physical Chemistry Letters
|
February 3, 2022
Quantum Vibrational Spectroscopy of Explicitly Solvated Thymidine in Semiclassical Approximation
Fabio Gabas, Riccardo Conte, 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
Journal of Chemical Theory and Computation
|
May 7, 2020
Semiclassical Vibrational Spectroscopy of Biological Molecules Using Force Fields
Fabio Gabas, Riccardo Conte, Michele Ceotto
Chemical Science
|
June 24, 2021
How many water molecules are needed to solvate one?
Alessandro Rognoni, Riccardo Conte, Michele Ceotto
The Journal of Chemical Physics
|
March 24, 2018
Simplified approach to the mixed time-averaging semiclassical initial value representation for the calculation of dense vibrational spectra
Max Buchholz, Frank Grossmann, Michele Ceotto
The Journal of Chemical Physics
|
August 17, 2010
Multiple coherent states semiclassical initial value representation spectra calculations of lateral interactions for CO on Cu(100)
Michele Ceotto, David Dell'Angelo, Gian Franco Tantardini
The Journal of Chemical Physics
|
February 15, 2013
Accelerated direct semiclassical molecular dynamics using a compact finite difference Hessian scheme
Michele Ceotto, Yu Zhuang, William L Hase
Physical Review Letters
|
July 22, 2017
Semiclassical "Divide-and-Conquer" Method for Spectroscopic Calculations of High Dimensional Molecular Systems
Michele Ceotto, Giovanni Di Liberto, Riccardo Conte
The Journal of Chemical Physics
|
January 8, 2018
"Divide and conquer" semiclassical molecular dynamics: A practical method for spectroscopic calculations of high dimensional molecular systems
Giovanni Di Liberto, Riccardo Conte, Michele Ceotto
The Journal of Chemical Physics
|
March 3, 2005
Quantum reaction rate from higher derivatives of the thermal flux-flux autocorrelation function at time zero
Michele Ceotto, Sandy Yang, William H Miller
Page
of 7