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Master Thesis

QCEXVAL

  • Javier Carmona García
    Title: “Sunlight excited state chemistry of atmospheric mercury compounds
    Supervisor: Dr. Daniel Roca-Sanjuán
    Entity: Universitat de València
    Country of entity: Spain
    Dates of reading: 2020
  • Miriam Navarrete Miguel
    Title: “Theoretical Study on the DNA Photo-damage and Photo-repair Mechanisms
    Supervisor: Dr. Daniel Roca-Sanjuán
    Entity: Universitat de València
    Country of entity: Spain
    Dates of reading: 2019
  • Ritam Mansour
    Title: “Mechanism of the Chemiluminescent Reaction of Nitric Oxide and Ozone
    Supervisors: Dr. Daniel Roca-Sanjuán
    Entity: Universitat de València and Université Toulouse III – Paul Sabatier
    Country of entity: Spain
    Dates of reading: 2019
  • Fernand Louisnard
    Title: “Non-Covalent Interactions in Chemiluminescence and Photochemistry in the Dark
    Supervisors: Dr. Daniel Roca-Sanjuán
    Entity: Universitat de València and Université Toulouse III – Paul Sabatier
    Country of entity: Spain
    Dates of reading: 2018
  • Amara Chrayteh
    Title: “Theoretical Study of the Photo-Oxidation Process of Thymine and Guanine Necleobases by Benzophenone
    Supervisors: Dr. Daniel Roca-Sanjuán
    Entity: Universitat de València and Université Toulouse III – Paul Sabatier
    Country of entity: Spain
    Dates of reading: 2018
  • Buse Chaglayan
    Title: “Spherical Aromaticity in C8 and B4N4 Cubic Systems
    Supervisors: Dr. Daniel Roca-Sanjuán
    Entity: Universitat de València and Université Toulouse III – Paul Sabatier
    Country of entity: Spain
    Dates of reading: 2018
  • Sebastian Sitkiewicz
    Title: “Computational Calculation of Nonlinear Optical Properties from First Principles
    Supervisors: Dr. Daniel Roca-Sanjuán
    Entity: Euskal Herriko Unibersitatea and Universitat de València
    Country of entity: Spain
    Dates of reading: 2017
  • Luís Suárez
    Title: “Theoretical Study of Charge-Separation Processes in Materials with Application in Organic Photovoltaics
    Supervisors: Dr. Daniel Roca-Sanjuán
    Entity:  Universitat de València and University of Gröningen
    Country of entity: Holland
    Date of reading: 2017
  • Meilani Wibowo
    Title: “The Photosensitizers Porphycene and Benzophenone: A RASPT2 Study
    Supervisors: Dr. Mercedes Rubio, Dr. Daniel Roca-Sanjuán, Prof. Dr. Ria Broer, and Dr. Remco Havenith
    Host Institution: Universitat de València
    Institution for Mobility Period: University of Groningen (Groningen, The Netherlands)
    Dates: 2013-2015 (2 years)
    Day of disertation: July 7th, 2015
  • Tatiana Lemishko
    Title: “Theoretical Study on the Dissociative Electron-Attachment Mechanism of Guanine
    Supervisors: Dr. Daniel Roca-Sanjuán, Prof. Dr. Manuela Merchán, and Martial Boggio-Pasqua
    Host Institution: Universitat de València
    Institution for Mobility Period: Université de Toulousse III – Paul Sabatier (Toulousee, France)
    Dates: 2013-2015 (2 years)
    Day of disertation: July 7th, 2015
  • Salmahaminati (visiting student)
    Title: “Photophysics and Photochemistry of Sunlight-Absorbing Amino Acids: A CASSCF/CASPT2 Study
    Supervisors: Prof. Ria Broer, Dr. Remco Havenith and Dr. Daniel Roca-Sanjuán
    Host Institution: University of Groningen (Groningen, The Netherlands)
    Institution for Mobility Period: Universitat de València
    Dates: 2014 (4 months)
    Day of disertation: July 22nd, 2014
  • José Manuel Guevara
    Title: “DFT Calculations on the Photophysics and Photochemistry of Polypyridil Complexes of Ruthenium
    Supervisors: Dr. Daniel Roca-Sanjuán, Prof. Manuela Merchán and Dr. Alary Fabienne
    Host Institution: Universitat de València
    Institution for Mobility Period: Université Paul Sabatier (Toulouse, France)
    2012-2014 (2 years)
    Day of disertation: July 18th, 2014
  • Claudiu-Dumitru Sergentu (visiting student)
    Title: “Revisiting the Intersystem Crossing in Benzophenone
    Supervisors: Prof. Ria Broer, Dr. Remco Havenith and Dr. Daniel Roca-Sanjuán
    Host Institution: University of Groningen (Groningen, The Netherlands)
    Institution for Mobility Period: Universitat de València
    Dates: 2013 (5 months)
    Day of disertation: July 25th, 2013
  • Javier Segarra-Martí
    Title: “Ionization Potentials of Water Clusters and Photochemistry of the Water Dimer
    Supervisors: Prof. Manuela Merchán and Dr. Daniel Roca-Sanjuán
    July, 15th, 2011
  • Angelo Giussani
    Title: “On the Photophysics of the Indole Chromophore by Using a Totally Unconstrained Theoretical Approach
    Supervisors: Prof. Manuela Merchán and Dr. Daniel Roca-Sanjuán
    July, 15th, 2011
  • Vicenta Sauri
    Title: “RASPT2: An Extended Method for Spectroscopy and Photoreactivity
    Supervisors: Prof. Luis Serrano-Andrés
    In cooperation with Prof. Kristin Pierloot, University of Leuven, Belgium
    2009

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