All Stories

  1. Validating fewest-switches surface hopping in the presence of laser fields

    Article • The Journal of Chemical Physics, March 2021, American Institute of Physics

    Professor Leticia Gonzalez

  2. Identification of important normal modes in nonadiabatic dynamics simulations by coherence, correlation, and frequency analyses

    Article • The Journal of Chemical Physics, December 2019, American Institute of Physics

    Professor Leticia Gonzalez

  3. Orbital entanglement and CASSCF analysis of the Ru–NO bond in a Ruthenium nitrosyl complex

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Markus Reiher, Professor Leticia Gonzalez

  4. Correction: Orbital entanglement and CASSCF analysis of the Ru–NO bond in a Ruthenium nitrosyl complex

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Markus Reiher, Professor Leticia Gonzalez

  5. Preface

    Article • Computational and Theoretical Chemistry, July 2014, Elsevier

    Professor Leticia Gonzalez

  6. Theoretical Spectroscopy and Photodynamics of a Ruthenium Nitrosyl Complex

    Article • Inorganic Chemistry, April 2014, American Chemical Society (ACS)

    Professor Leticia Gonzalez

  7. Gas-phase electrophilic aromatic substitution mechanism with strong electrophiles explained by ab initio non-adiabatic dynamics

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Professor Leticia Gonzalez

  8. Ultrafast Intersystem Crossing in SO_2 and Nucleobases

    Article • January 2014, Optical Society of America (OSA)

    Professor Leticia Gonzalez

  9. Excitation of Nucleobases from a Computational Perspective II: Dynamics

    Article • January 2014, Springer Science + Business Media

    Professor Leticia Gonzalez, Dr Daniel Roca-Sanjuán

  10. Tribute to Jörn Manz

    Article • The Journal of Physical Chemistry A, November 2012, American Chemical Society (ACS)

    Professor Leticia Gonzalez

  11. Short Introduction to Atomic and Molecular Configuration

    Article • June 2012, Wiley

    Professor Leticia Gonzalez

  12. Progress and Challenges in the Calculation of Electronic Excited States

    Article • ChemPhysChem, September 2011, Wiley

    Professor Leticia Gonzalez, Dr Daniel Escudero

  13. ChemInform Abstract: Laser Control of Chemical Reactions

    Article • ChemInform, November 2009, Wiley

    Professor Leticia Gonzalez

  14. Density functional theory rationalization of the substituent effects in trifluoromethyl-pyridinol derivatives

    Article • Tetrahedron, January 2009, Elsevier

    Professor Leticia Gonzalez

  15. Theoretical investigation of anthracene‐9,10‐endoperoxide vertical singlet and triplet excitation spectra

    Article • Journal of Computational Chemistry, June 2008, Wiley

    Professor Leticia Gonzalez

  16. Einführung in die computergestützte Quantenchemie

    Article • January 2008, Springer Science + Business Media

    Professor Leticia Gonzalez

  17. Laserkontrolle

    Article • Nachrichten aus der Chemie, March 2007, Wiley

    Professor Leticia Gonzalez

  18. Photochemistry of CH3Mn(CO)5: A multiconfigurational ab initio study

    Article • Journal of Computational Chemistry, August 2006, Wiley

    Professor Leticia Gonzalez

  19. A first principles approach to optimal control

    Article • Theoretical Chemistry Accounts, December 2005, Springer Science + Business Media

    Professor Leticia Gonzalez

  20. Auf dem Weg zur Professorin

    Article • Nachrichten aus der Chemie, June 2005, Wiley

    Professor Leticia Gonzalez

  21. Spontaneous Self-Ionization in the Gas Phase: A Theoretical Prediction

    Article • ChemPhysChem, July 2001, Wiley

    Professor Leticia Gonzalez

  22. Spontaneous Self-Ionization in the Gas Phase: A Theoretical Prediction

    Article • ChemPhysChem, July 2001, Wiley

    Professor Leticia Gonzalez