Light and MoleculesLight and Molecules
  • News
    • Photochemistry and photophysics
    • Methods and Software
    • Quantum chemistry
    • Organic photodevices
    • Photobiology
    • Photosensitization and singlet oxygen
    • Excited state proton transfer
    • Atmospheric photochemistry
    • Review
  • About
  • Publications
  • People
    • People
    • Gallery
  • Resources
    • Course on Computational Modeling of Nanosystems
    • Info for visitors and group members
      • Relocation services
      • Visa information
      • Arriving in Marseille
      • Renting a place
      • Where to live
      • Public transport
    • Working in Marseille
    • Datasets
    • Newton-X
    • On YouTube
    • In the Media
  • Contact

simulations

Quantum chemistry

How Many Trajectories Should I Run?

Want to do dynamics? This is how many trajectories you will need. (more…)

By Mario Barbatti, 7 yearsApril 18, 2018 ago
Review

Surface Hopping with DFT Excited States

When and how to do surface hopping with DFT.

By Mario Barbatti, 10 yearsFebruary 11, 2015 ago
Excited state proton transfer

Excited-state proton transfer in solvated 7-azaindole

Excited state proton transfer in 7-azaindole in water takes place through the first solvation shell. (more…)

By Mario Barbatti, 11 yearsApril 4, 2014 ago
Photobiology

Photochemistry of life

Computational chemistry explains a photochemical reaction at the origin of life.  (more…)

By Mario Barbatti, 11 yearsJanuary 20, 2014 ago

  • Google Scholar
  • Web of Science
  • Scopus
  • ORCID




Creative Commons License
This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.

The views or opinions expressed in this blog are solely those of the author. They do not necessarily represent those of the institutions to which he is or was affiliated.


  • News
  • About
  • Publications
  • People
  • Resources
  • Contact
Hestia | Developed by ThemeIsle
 

Loading Comments...