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  • Ricardo A. Mosquera
  • Ana M. Graña
  • José M. Hermida
  • Ignacio Pérez
  • Marcos Mandado
  • Ángeles Peña

RICARDO A. MOSQUERA CASTRO

Full Professor

 

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ANA M. GRAÑA

Professor

 

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JOSÉ M. HERMIDA RAMÓN

Professor

 

"Development and implementation of Statistical QM/MM methods to characterize the solvent effect in solvated systems. Study of Intermolecular aggregates. Supramolecular chemistry related with the host-guest complexes of molecular tweezers and molecular cranes with anions, cations and neutral molecules. Characterization of the SERS (Surface Enhanced Raman Scattering) spectra by theoretical means."

IGNACIO PÉREZ JUSTE

Professor

 

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MARCOS MANDADO

Professor

 

"Application of widespread quantum chemical tools and development of new ones for the analysis of intramolecular bonding, intermolecular interactions, and reactivity. My recent interests focus on the study of molecular conductors constructed from polybenzenoids and the mechanism of the Raman scattering enhancement on carbon surfaces."

ÁNGELES PEÑA

Professor

 

"Application of computational chemistry for the study of intramolecular interactions and mechanism of chemical reactions. In both cases,special interest is shown in aromatic systems. One of the most recent studies is related to the interactions between cocaine molecule and different monomers in molecularly imprinted polymers."

  • Laura Estévez
  • David Ferro Costas
  • Nicolás Ramos Berdullas
  • Nicolás Otero
  • LAURA ESTÉVEZ

    PhD by the Universtity of Vigo (Spain)

    lestevez@uvigo.es

    Post-Doctoral contract (I2C program, Xunta de Galicia)

    Now at CNRS UMR5254, Université de Pau des Pays de l'Adour, Pau, France

     

    "Understanding of the chemical reactivity of original transition metal complexes. Description of new Metal/Ligand modes of coordination: QTAIM and NBO analysis of bonding situations."

    DAVID FERRO COSTAS

    PhD by the University of Vigo

    davidferro@uvigo.es

     

    "My work turns around exploring new applications for QTAIM (Quantum Theory of Atoms In Molecules) and its complementarity with other methods. For example:

    * combining QTAIM with other methodologies as ELF (Electron Localization Function) and NBO (Natural Bond Orbitals);

    * Defining a new partitioning schemes of the three-dimensional space combining QTAIM with disjoint and fuzzy partitions;

    * Expanding of the QTAIM thinking into the photochemistry realm;

    * Analyzing the effect of the electronegativity on the Bond Electron Density (BED) distribution;

    * Reinterpreting the anomeric effect in terms of atomic and bond basins;

    * Etc"

    NICOLÁS RAMOS BERDULLAS

    PhD by the University of Vigo

    nicolas.ramos@uvigo.es

     

    "Electric response of polycyclic aromatic hydrocarbons, investigation of the current/voltage profiles in these systems. Study of the SERS enhancing mechanism in carbon sustrates like graphene, fullerenes and nanotubes."

    NICOLÁS OTERO

    PhD by the Universtity of Vigo (Spain)

    nom05@uvigo.es

    Post-Doctoral contract (I2C program, Xunta de Galicia)

    Now at CNRS UMR5254, Université de Pau des Pays de l'Adour, Pau, France

     

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  • Sara Gil Guerrero
  • Iria Bolaño

SARA GIL GUERRERO

Master Student

Graduated at Universtity of Salamanca (Spain)

sgg@uvigo.es

 

Iria Bolaño

Master Student

Graduated at Universtity of Vigo (Spain)

 


QUANTUM CHEMISTRY GROUP - DEPARTMENT OF PHYSICAL CHEMISTRY - UNIVERSITY OF VIGO

http://webs.uvigo.es/qf3_electron_density