Supervised theses (12) Theses supervised by group members

2019

  1. Theoretical study of fullerene encapsulation by cycloparaphenylene-based carbon nanorings

    González Veloso, Iván

    Supervised by JESUS RODRIGUEZ OTERO y ENRIQUE MANUEL CABALEIRO LAGO

2017

  1. Beyond the harmonic approximation in the theoretical study of flexible molecules: application to chemical reactions and tunneling splittings

    Simón Carballido, Luis

    Supervised by ANTONIO FERNANDEZ RAMOS

2015

  1. Tailoring buckybowls for fullerene recognition

    Josa, Daniela

    Supervised by JESUS RODRIGUEZ OTERO y ENRIQUE MANUEL CABALEIRO LAGO
  2. Computational study of the capability of the side chains of amino acids for setting up cation···Π interactions relevant in protein stability and structure

    Rodríguez Sanz, Ana Angustias

    Supervised by ENRIQUE MANUEL CABALEIRO LAGO y JESUS RODRIGUEZ OTERO

2014

  1. On the interaction between ions and complex aromatic systems: amino acid side chains, ion channels and buckybowls

    Campo Cacharrón, Alba

    Supervised by JESUS RODRIGUEZ OTERO y ENRIQUE MANUEL CABALEIRO LAGO
  2. GAFit: a computational tool kit for parameterizations of potential energy surfaces

    RODRÍGUEZ FERNÁNDEZ, ROBERTO

    Supervised by EMILIO MARTINEZ NUÑEZ y SAULO ANGEL VAZQUEZ RODRIGUEZ
  3. Computational design of molecular tweezers and cranes with enhanced ion-pi interactions

    Sánchez Lozano, Marta

    Supervised by CARLOS MANUEL ESTEVEZ VALCARCEL

2011

  1. Dynamics study of hydrogen transfer reactions by variational transition state theory

    Meana Pañeda, Rubén

    Supervised by ANTONIO FERNANDEZ RAMOS
  2. Evaluación de espectros rovibracionales en complejos de Van der Waals de forma altamente precisa

    Bouzón Capelo, Silvia Diana

    Supervised by BERTA FERNANDEZ RODRIGUEZ
  3. Classical trajectory simulations of collisions between polyatomic molecules and a self-assembled monolayer surface

    Nogueira Pérez, Juan José

    Supervised by SAULO ANGEL VAZQUEZ RODRIGUEZ y EMILIO MARTINEZ NUÑEZ

2008

  1. Estudio teórico de reacciones pericíclicas catalizadas por litio y cicloadiciones multicomponente catalizadas por rodio y rutenio

    Montero Campillo, María de la Merced

    Supervised by JESUS RODRIGUEZ OTERO y ENRIQUE MANUEL CABALEIRO LAGO

2006

  1. Estudio Coupled Cluster de potenciales de interacción en complejos de Van der Waals

    Cagide Fajín, Jose Luís

    Supervised by BERTA FERNANDEZ RODRIGUEZ