Unit of Research in Theoretical Chemistry/Methods - UIQT/Met

Reference of the Group:

GIUV2016-279

 
Description of research activity:

1. Structure and molecular interactions in biological systems, nanotubes and graphenes, including interactions with gases. Methodology and applications. 2.Molecular response to electromagnetic disturbances: magnetic properties, chirality and polarizabilities. 3.Molecular modelling, design and development of computer-aided drugs.

 
Web:

http://www.uv.es/uiqt/

 
Scientific-technical goals:
  • Aplicacion y desarrollo de procedimientos relacionados con la estructura electronica, propiedades moleculares, e interacciones moleculares
 
Research lines:
  • Molecular interactions.Application and development of interaction methods, mainly between fundamental states, from ab-initio calculations to simulations with molecular dynamics.
  • Molecular properties.Calculation of properties as molecular responses to electromagnetic disturbance: magnetic properties, chirality and polarizabilities.
  • Theoretical modelling of drugs.Molecular modelling, design and development of computer-aided drugs.
 
Group members:
Name Nature of participation Entity Description
ALFREDO SANCHEZ DE MERASDirectorUniversitat de València
Research team
FRANCISCO TORRENS ZARAGOZAMemberUniversitat de València
INMACULADA GARCIA CUESTAMemberUniversitat de València
 
CNAE:
  • -
  • -
 
Keywords:
  • Molecular interaction potentials
  • Response properties. Molecular Magnetic Properties
  • Structure-Activity Relationship