Dr. Juan Jose Nogueira Perez

University of Vienna
Institute of Theoretical Chemistry
Währinger Str. 17
1090 Vienna

+43 1 4277 52755

Focus Area
Our goal is to model the mode of action of photosensitizers employed in anticancer therapies. The simulations describe the photosensitization mechanism involving several electronic excited states with the drug embedded in biological environments.
Awards & Prizes
  • 2013-2015 Marie Curie Intra-European Fellowship
  • 2010-2012 PhD Fellowship of the University of Santiago de Compostela
  • 2001-2006 General Scholarship of the Ministry of Education of Spain for Under-graduated Students
  • Award Winner for Best Poster Presentation, WATOC 2011

Functions & Memberships

  • Referee in Chemico-Biological Interactions (Elsevier)
  • Co-organizer of Symposium of Young Researchers on Atomic and Molecular Physics 2011, University of Santiago de Compostela

  1. J. J. Nogueira, F. Plasser, L. González.
    Electronic Delocalization, Charge Transfer and Hypochromism in the UV Absorption Spectrum of Polyadenine Unravelled by Multiscale Computations and Quantitative Wavefunction Analysis.
    Chem. Sci. 2017, 8, 5682-5691.
  2. J. J. Nogueira, A. Corani, A. El Nahhas, A. Pezzella, M. d’Ischia, L. González, V. Sundström.
    Sequential Proton-Coupled Electron Transfer Mediates Excited State Deactivation of a Eumelanin Building Block.
    J. Phys. Chem. Lett. 2017, 8, 1004-1008.
  3. J. J. Nogueira, M. Meixner, M. Bittermann, L. González.
    Impact of Lipid Environment on Photodamage Activation of Methylene Blue.
    ChemPhotoChem 2017, 1, 178.
  4. J. Czapla-Masztafiak, J. J. Nogueira, E.Lipiec, W. Kwiatek, B. Wood, G. Deacon, Y. Kayser, D. Abreu Fernandes, M. Pavliuk, J. Szlachetko, L. González, J. Sá
    Direct Determination of Metal Complexes Interaction with DNA by Atomic Telemetry and Multiscale Molecular Dynamics.
    J. Phys. Chem. Lett. 2017 8, 805-811.
  5. P. Zobel, J. J. Nogueira, L. González.
    The IPEA Dilemma in CASPT2.
    Chem. Sci. 2017, 8, 1482 – 1499.
  6. P. Marquetand, J. J. Nogueira, S. Mai, F. Plasser, L. González.
    Challenges in Simulating Light-Induced Processes in DNA.
    Molecules 2017, 22, 49.
  7. C. Rauer, J. J. Nogueira, P. Marquetand, L. González.
    Cyclobutane Thymine Photodimerization Mechanism Revealed by Nonadiabatic Molecular Dynamics.
    J. Am. Chem. Soc. 2016, 138, 15911-15916.
  8. J.P. Zobel, J.J. Nogueira, L. González.
    Quenching of Charge Transfer in Nitrobenzene Induced by Vibrational Motion.
    J. Phys. Chem. Lett. 2015, 6, 3006-3011.
  9. J. J. Nogueira, M. Oppel, L. González.
    Enhancing Intersystem Crossing in Phenotiazinium Dyes by Intercalation into DNA.
    Angew. Chem. Int. Ed. 2015, 54, 4375-4378.
  10. Juan J. Nogueira, Yang Wang, Fernando Martin, Manuel Alcami, David R. Glowacki, Dmitrii V. Shalashilin, Emanuele Paci, Antonio Fernandez-Ramos, William L. Hase, Emilio Martínez-Núñez, and Saulo A. Vazquez.
    Unraveling the Factors that Control Soft Landing of Small Silyl Ions on Fluorinated Self-Assembled Monolayers.
    J. Phys. Chem. C 2014, 118, 10159-10169.
  11. Juan J. Nogueira and Leticia González.
    Molecular Dynamics Simulations of Binding Modes between Methylene Blue and DNA with Alternating GC and AT Sequences.
    Biochemistry 2014, 53, 2391-2412.
  12. Juan J. Nogueira, William L. Hase and Emilio Martínez-Núñez.
    Understanding Energy Transfer in Gas-Surface Collisions from Gas-Phase Models.
    J. Phys. Chem. C 2014, 118, 2609-2621.
  13. Manuel Monge-Palacios, Juan J. Nogueira and Emilio Martínez-Núñez.
    Energy Transfer and Thermal Accommodation in Ozone Scattering from a Perfluorinated Self-Assembled Monolayer.
    J. Phys. Chem. C 2012, 116, 25454-25464.
  14. Juan J. Nogueira, Antonio Sánchez-Coronilla, Jorge M.C. Marques, William L. Hase, Emilio Martínez-Núñez and Saulo A. Vázquez.
    Intermolecular Potentials for Simulations of Collisions of SiNCS+ and (CH3)2SiNCS+ Ions with Fluorinated Self-Assembled Monolayers.
    Chem. Phys. 2012, 399, 193-204. Special Issue in honour to Gerardo Delgado Barrio.
  15. Juan J. Nogueira, Zahra Homayoon, Saulo A. Vázquez and Emilio Martínez-Núñez.
    Chemical Dynamics Study of NO Scattering from a Perfluorinated Self-Assembled Monolayer.
    J. Phys. Chem. C 2011, 115, 23817-23830.
  16. Juan J. Nogueira, S. A. Vázquez, U. Lourderaj, W. L. Hase and E. Martínez-Núñez.
    Chemical Dynamics Simulations CO2 in the Ground and First Excited Bend States Colliding with a Perfluorinated Self-Assembled Monolayer.
    J. Phys. Chem. C 2010, 114, 18455-18464.
  17. Juan J. Nogueira, Emilio Martínez-Núñez and Saulo A. Vázquez.
    Improved United-Atom Models for Perfluorinated Self-Assembled Monolayers.
    J. Phys. Chem. C 2008, 113, 3300-3312.
  18. Juan J. Nogueira, Saulo A. Vázquez, Oleg A. Mazyar, William L. Hase, Bradford G. Perkins, David J. Nesbitt, and Emilio Martínez-Núñez.
    Dynamics of CO2 Scattering off a Perfluorinated Self-Assembled Monolayer. Influence of the Incident Collision Energy, Mass Effects, and Use of Different Surface Models.
    J. Phys. Chem. A 2008, 113, 3850-3865. Special Issue in honour to George C. Schatz.