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Michele Ceotto

6PUBLICATIONS
7CO-AUTHORS
Theoretical quantum chemistryStatistical mechanics in chemistry
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Publications (6)

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|Nov 03, 2018
A quantum mechanical insight into S<sub>N</sub>2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl<sup>-</sup>⋯CH<sub>3</sub>Cl pre-reaction complex with the VENUS suite of codes.

Xinyou Ma, Giovanni Di Liberto, Riccardo Conte

|Aug 17, 2018
Anharmonic vibrational eigenfunctions and infrared spectra from semiclassical molecular dynamics.

Marco Micciarelli, Riccardo Conte, Jaime Suarez

|Mar 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

|Mar 17, 2018
"Divide-and-conquer" semiclassical molecular dynamics: An application to water clusters.

Giovanni Di Liberto, Riccardo Conte, Michele Ceotto

|Jan 08, 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

|Nov 04, 2017
Application of the mixed time-averaging semiclassical initial value representation method to complex molecular spectra.

Max Buchholz, Frank Grossmann, Michele Ceotto

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Frequent Collaborators

4 joint publications

Riccardo Conte

3 joint publications

Giovanni Di Liberto

2 joint publications

Frank Grossmann

1 joint publications

Marco Micciarelli

1 joint publications

Jaime Suarez

1 joint publications

Xinyou Ma

1 joint publications

William L Hase

Frequent Collaborators

4 joint publications

Riccardo Conte

3 joint publications

Giovanni Di Liberto

2 joint publications

Frank Grossmann

1 joint publications

Marco Micciarelli

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