Grups d'Investigació

GIUV2013-116

The group has extensive research experience in the field of Theoretical and Computational Chemistry, as well as in the areas of grid computing and eScience. The research activity of the group has mainly focused on the application of Theoretical and Computational Chemistry techniques to systems of technological interest. The research focuses on the study of the electronic and optical properties of molecular and polymeric materials for use in molecular electronics and energy storage and includes the development of new methodologies for the study of chemical processes. On the more technical side, the group's efforts have also focused on the implementation of Grid technology, for the efficient and productive use and exploitation of computational resources through scientific grid computing and its application to eScience.

http://www.uv.es/quimfis

• L'objectiu principal es l'aplicacio de la quimica computacional a sistemes d'interes tecnologic i el desenvolupament de tecnologies GRID en eCiencia

• Study of the effects of sigma delocalization on the electronic and optical properties of organosilanes.Study of the effects of electronic sigma delocalisation on the electronic and optical properties of organogosilanes using high-precision mechanokinetic techniques.
• Study of functionalized metal surfaces and nanoparticles for use in technological applications.Application of quantum chemistry techniques to the study of metal surfaces and functionalised nanoparticles for use in technological applications.
• Development and application of the adiabatic approximation in the study of chemical processes.The main responsible of this line is the Honorary Professor of the Universitat de València Orlando Tapia Olivares. Development and application of the diabatic approach in the study of chemical processes.

• -

• Physical Chemistry

• SERS, surface enhanced raman scattering, TERS, tip enhanced raman scattering, raman, fotoluminiscencia, AFM, atomic force microscopy, KPFM, CAFM,
• superfícies metàl · liques, nanopartícules funcionalitzades, quimica computacional
• química teòrica, aproximació diabática, processos químics