D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 50 Citations 8,859 179 World Ranking 10611 National Ranking 407

Overview

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Electron
  • Molecule

Atomic physics, Excited state, Surface hopping, Density functional theory and Ground state are his primary areas of study. His Atomic physics research incorporates elements of Quinoline, Cytosine, Ultrafast laser spectroscopy, Ab initio and Quantum. His Ab initio research is multidisciplinary, incorporating perspectives in Spectral line, Thymine and Ab initio quantum chemistry methods.

His Excited state research is multidisciplinary, relying on both Molecular physics and Photochemistry. His studies deal with areas such as Statistical physics and Electron transfer as well as Surface hopping. His Ground state research integrates issues from Relaxation and Coupled cluster.

His most cited work include:

  • The on-the-fly surface-hopping program system Newton-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems (315 citations)
  • Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases (274 citations)
  • Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases (274 citations)

What are the main themes of his work throughout his whole career to date?

Mario Barbatti mainly focuses on Excited state, Atomic physics, Photochemistry, Surface hopping and Ground state. The concepts of his Excited state study are interwoven with issues in Chemical physics, Molecular physics, Molecule and Density functional theory. His work carried out in the field of Atomic physics brings together such families of science as Spectral line, Ab initio, Excitation and Rydberg formula.

Mario Barbatti combines subjects such as Protonation, Singlet state, Dissociation and Tautomer with his study of Photochemistry. When carried out as part of a general Ground state research project, his work on Conical intersection and Internal conversion is frequently linked to work in Population, therefore connecting diverse disciplines of study. His work in Conical intersection addresses subjects such as Cytosine, which are connected to disciplines such as Pyrimidine.

He most often published in these fields:

  • Excited state (57.76%)
  • Atomic physics (44.72%)
  • Photochemistry (25.47%)

What were the highlights of his more recent work (between 2015-2020)?

  • Excited state (57.76%)
  • Photochemistry (25.47%)
  • Ground state (21.74%)

In recent papers he was focusing on the following fields of study:

His primary areas of investigation include Excited state, Photochemistry, Ground state, Surface hopping and Density functional theory. The various areas that Mario Barbatti examines in his Excited state study include Chemical physics, Electronic structure, Ionization, Statistical physics and Adiabatic process. His study in Photochemistry is interdisciplinary in nature, drawing from both Fluorescence, Molecule, Conical intersection, Substituent and Intramolecular force.

His Ground state study integrates concerns from other disciplines, such as Molecular physics and Excitation. His Density functional theory study combines topics in areas such as Spectral line and Atomic physics. His Atomic physics study frequently links to adjacent areas such as Delocalized electron.

Between 2015 and 2020, his most popular works were:

  • Multireference Approaches for Excited States of Molecules. (103 citations)
  • Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods. (72 citations)
  • Effects of different initial condition samplings on photodynamics and spectrum of pyrrole (55 citations)

In his most recent research, the most cited papers focused on:

  • Quantum mechanics
  • Electron
  • Molecule

His main research concerns Excited state, Density functional theory, Surface hopping, Atomic physics and Semiclassical physics. His Excited state study incorporates themes from Statistical physics, Observable, Ground state, Adiabatic process and Hamiltonian. His research investigates the connection with Ground state and areas like Ionization which intersect with concerns in Molecular physics.

The Time-dependent density functional theory research Mario Barbatti does as part of his general Density functional theory study is frequently linked to other disciplines of science, such as Coupling, therefore creating a link between diverse domains of science. Mario Barbatti interconnects Electronic density, Delocalized electron, Relaxation, Field and Excitation in the investigation of issues within Surface hopping. His work deals with themes such as Chemical physics, Radiative transfer and Electron, which intersect with Atomic physics.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

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;Matthias Ruckenbauer.
Journal of Photochemistry and Photobiology A-chemistry (2007)

473 Citations

Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases

Mario Cesar Barbatti;Mario Cesar Barbatti;Adelia J. A. Aquino;Jaroslaw Szymczak;Dana Nachtigallova.
Proceedings of the National Academy of Sciences of the United States of America (2010)

385 Citations

Newton-X: a surface-hopping program for nonadiabatic molecular dynamics

Mario Barbatti;Matthias Ruckenbauer;Felix Plasser;Jiri Pittner.
Wiley Interdisciplinary Reviews: Computational Molecular Science (2014)

383 Citations

Nonadiabatic dynamics with trajectory surface hopping method

Mario Barbatti.
Wiley Interdisciplinary Reviews: Computational Molecular Science (2011)

377 Citations

The UV absorption of nucleobases: semi-classical ab initio spectra simulations

Mario Barbatti;Adelia J. A. Aquino;Adelia J. A. Aquino;Hans Lischka;Hans Lischka.
Physical Chemistry Chemical Physics (2010)

233 Citations

Multireference Approaches for Excited States of Molecules.

Hans Lischka;Hans Lischka;Hans Lischka;Dana Nachtigallová;Adélia J.A. Aquino;Adélia J.A. Aquino;Adélia J.A. Aquino;Péter G. Szalay.
Chemical Reviews (2018)

223 Citations

Nonadiabatic Deactivation of 9H-Adenine: A Comprehensive Picture Based on Mixed Quantum−Classical Dynamics

Mario Barbatti;Hans Lischka.
Journal of the American Chemical Society (2008)

210 Citations

Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods.

Xing Gao;Shuming Bai;Daniele Fazzi;Thomas Niehaus.
Journal of Chemical Theory and Computation (2017)

195 Citations

Photochemistry of ethylene: a multireference configuration interaction investigation of the excited-state energy surfaces.

M. Barbatti;J. Paier;H. Lischka.
Journal of Chemical Physics (2004)

195 Citations

Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran

Rachel Crespo-Otero;Mario Cesar Barbatti.
Theoretical Chemistry Accounts (2012)

190 Citations

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