Mario Barbatti - Concepedia

Author

Mario Barbatti

Also Known As

Barbatti, M., Barbatti, Mario, Carla Barbatti, M Barbatti, M. Barbatti, MARIO BARBATTI, Mario BARBATTI, Mario Barbatti, Mario Barbatti (1294332), Ullrich, Susanne

384

Publications

13K

Citations

H-Index

107

Concepts

All Affiliations

University of Vienna Aix-Marseille Université Centre National de la Recherche Scientifique Max-Planck-Institut für Kohlenforschung Institut de Chimie Radicalaire

About

Mario Barbatti is an author at University of Vienna specializing in natural sciences, engineering, and quantum chemistry.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	43	79	6.2K
2	Natural Sciences	43	83	6.2K
3	Applied Physics	26	32	3K
4	Health Sciences	3	3	136
5	Medicine	3	3	137

Mario Barbatti

161

Publications

10.8K

Citations

H-Index

Page 1

	Year	Citations
Nonadiabatic dynamics with trajectory surface hopping method Mario Barbatti Wiley Interdisciplinary Reviews Computational Molecular Science Quantum DynamicTrajectory Surface HoppingEngineeringFluid MechanicsComputational Chemistry	2011	498
The on-the-fly surface-hopping program system Newton-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems Mario Barbatti, Giovanni Granucci, Maurizio Persico, Journal of Photochemistry and Photobiology A Chemistry EngineeringPhysicsNatural SciencesApplied PhysicsNumerical Simulation	2006	496
Newton‐<scp>X</scp>: a surface‐hopping program for nonadiabatic molecular dynamics Mario Barbatti, Matthias Ruckenbauer, Felix Plasser, Wiley Interdisciplinary Reviews Computational Molecular Science	2013	493
Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases Mario Barbatti, Adélia J. A. Aquino, Jarosław J. Szymczak, Proceedings of the National Academy of Sciences	2010	441
Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods Xing Gao, Shuming Bai, Daniele Fazzi, Journal of Chemical Theory and Computation EngineeringMagnetic ResonanceComputational ChemistryChemistrySpin Dynamic	2016	379
Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran Rachel Crespo‐Otero, Mario Barbatti Theoretical Chemistry Accounts EngineeringPhysicsNatural SciencesNumerical SimulationSpectrum Simulation	2012	356
Surface hopping dynamics using a locally diabatic formalism: Charge transfer in the ethylene dimer cation and excited state dynamics in the 2-pyridone dimer Felix Plasser, Giovanni Granucci, Mario Barbatti, The Journal of Chemical Physics	2012	237
The UV absorption of nucleobases: semi-classical ab initio spectra simulations Mario Barbatti, Adélia J. A. Aquino, Hans Lischka Physical Chemistry Chemical Physics	2010	234
Surface Hopping Dynamics with Correlated Single-Reference Methods: 9H-Adenine as a Case Study Felix Plasser, Rachel Crespo‐Otero, Marek Pederzoli, Journal of Chemical Theory and Computation EngineeringMolecular BiologyCorrelated Single-reference MethodsComputational ChemistryChemistry	2014	216
Nonadiabatic Deactivation of 9<i>H</i>-Adenine: A Comprehensive Picture Based on Mixed Quantum−Classical Dynamics Mario Barbatti, Hans Lischka Journal of the American Chemical Society	2008	199

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