All papers authored by Mario Barbatti
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Ron Shepard ,
Thomas Müller ,
Péter G. Szalay ,
Russell M. Pitzer,
Adelia J. A. Aquino ,
Mayzza M. Araújo do Nascimento ,
Mario Barbatti ,
Lachlan T. Belcher ,
Jean-Philippe Blaudeau,
Itamar Borges ,
Scott R. Brozell,
Emily A. Carter ,
Anita Das,
Gergely Gidofalvi
and 18 other authors
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry
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Mario Barbatti ,
Paulo F. B. Gonçalves
A three-state model for the photo-Fries rearrangement
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Michael O. Wolf ,
Christopher J. Bardeen,
David Casanova
The photophysics of naphthalene dimers controlled by sulfur bridge oxidation
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New Insights into the State Trapping of UV-Excited Thymine
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Nawee Kungwan,
Mario Barbatti
Stepwise double excited-state proton transfer is not possible in 7-azaindole dimer
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Rachel Crespo-Otero ,
Marek Pederzoli,
Jiřı́ Pittner,
Hans Lischka,
Mario Barbatti
Surface Hopping Dynamics with Correlated Single-Reference Methods: 9H-Adenine as a Case Study
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Mario Barbatti
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Thomas Muller,
Wolfgang Domcke,
Hans Lischka
Ultrafast non-adiabatic dynamics of ethylene including Rydberg states
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Mario Barbatti
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Matthias Ruckenbauer,
Felix Plasser ,
Jiřı́ Pittner,
Giovanni Granucci,
Maurizio Persico,
Hans Lischka
Newton-X: a surface-hopping program for nonadiabatic molecular dynamics: Newton-X
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Thomas Muller,
Hans Lischka
Nonadiabatic Photodynamics of a Retinal Model in Polar and Nonpolar Environment
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Rachel Crespo-Otero ,
Oliver Weingart,
Walter Thiel ,
Mario Barbatti
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