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Donostia / San Sebastian, Spain

The Donostia International Physics Center Foundation was established in 1999 in the framework of a collaboration agreement reached by the Education and Industry Departments of the Basque Government, the University of the Basque Country, the Regional Government of Gipuzkoa, the City of Donostia and the Kutxa savings bank. Iberdrola participated in the venture during 2000-2003. In 2004 Naturcorp Multiservicios joined the project, followed by Telefónica in 2005.The DIPC was born as an intellectual center aimed at fostering and providing for the development of highest level basic research in material science. Since its early days, the DIPC has been an open institution, bound to the University of the Basque Country, committed to the internationalization of all basic science engaged in the Basque Country related to physics and material science. Wikipedia.

Grabowski S.J.,Donostia International Physics Center | Grabowski S.J.,Ikerbasque
Chemical Reviews | Year: 2011

Hydrogen bonding is an important interaction playing a key role in chemical, physical, and biochemical processes. The Quantum Theory of 'Atoms in Molecules' (QTAIM) is one of the approaches often applied to analyze the electron charge distribution for the hydrogen-bonded systems. The bond number connected with interatomic distance seems to be good to introduce a measure of strength for nonbonding contacts including hydrogen bonds. The bond number may be understood as the fraction of electron pair participating in the atom-atom contact, and the logarithmic relation is a consequence of the exponential character of intermolecular forces. The Natural Bond Orbital (NBO), also differ significantly from the other decomposition schemes. A measure of the hydrogen-bonding strength, named as a complex parameter, based on geometrical and topological parameters of the A-H proton-donating bond, was introduced and calculated for a sample of different hydrogen-bonded complexes. Source

Grabowski Sl.J.,Donostia International Physics Center | Grabowski Sl.J.,Ikerbasque
Physical Chemistry Chemical Physics | Year: 2014

MP2/aug-cc-pVTZ calculations were carried out on complexes of ZH 4, ZFH3 and ZF4 (Z = C, Si and Ge) molecules with HCN, LiCN and Cl- species acting as Lewis bases through nitrogen centre or chlorine ion. Z-Atoms in these complexes usually act as Lewis acid centres forming σ-hole bonds with Lewis bases. Such noncovalent interactions may adopt a name of tetrel bonds since they concern the elements of the group IV. There are exceptions for complexes of CH4 and CF 4, as well as for the F4Si⋯NCH complex where the tetrel bond is not formed. The energetic and geometrical parameters of the complexes were analyzed and numerous correlations between them were found. The Quantum Theory of 'Atoms in Molecules' and Natural Bonds Orbital (NBO) method used here should deepen the understanding of the nature of the tetrel bond. An analysis of the electrostatic potential surfaces of the interacting species is performed. The electron charge redistribution, being the result of the tetrel bond formation, is the same as that of the SN2 reaction. The energetic and geometrical parameters of the complexes analyzed here correspond to different stages of the SN2 process. This journal is © 2014 the Owner Societies. Source

Grabowski Sl.J.,Donostia International Physics Center | Grabowski Sl.J.,Ikerbasque
Physical Chemistry Chemical Physics | Year: 2013

Hydrogen and halogen bonds are compared on the basis of ab initio calculations performed for complexes linked through these interactions. The Quantum Theory of Atoms in Molecules (QTAIM) and the Natural Bond Orbitals (NBO) method are applied for a deeper understanding of the nature of interactions. Both interactions are ruled by the same effects of hyperconjugation and rehybridization. In general for both kinds of interactions the same processes of the electron charge redistribution being the result of complexation are observed. As a consequence similar characteristics are also observed for the hydrogen and halogen bonds for example the increase of the positive charge of the atom being in contact with the Lewis base (hydrogen and chlorine or bromine for complexes analyzed here) and the decrease of its volume as a result of the complex formation. The halogen bond is enhanced by the charge assistance, similarly to the hydrogen bond. © 2013 the Owner Societies. Source

Dogariu A.,University of Central Florida | Sukhov S.,University of Central Florida | Saenz J.,Autonomous University of Madrid | Saenz J.,Donostia International Physics Center
Nature Photonics | Year: 2013

The idea of using optical beams to attract objects has long been a dream of scientists and the public alike. Over the years, a number of proposals have attempted to bring this concept to life. Here we review the most recent progress in this emerging field, including new concepts for manipulating small objects using optically induced 'negative forces', achieved by tailoring the properties of the electromagnetic field, the environment or the particles themselves. © 2013 Macmillan Publishers Limited. Source

Feist J.,Autonomous University of Madrid | Garcia-Vidal F.J.,Autonomous University of Madrid | Garcia-Vidal F.J.,Donostia International Physics Center
Physical Review Letters | Year: 2015

We demonstrate that exciton conductance in organic materials can be enhanced by several orders of magnitude when the molecules are strongly coupled to an electromagnetic mode. Using a 1D model system, we show how the formation of a collective polaritonic mode allows excitons to bypass the disordered array of molecules and jump directly from one end of the structure to the other. This finding could have important implications in the fields of exciton transistors, heat transport, photosynthesis, and biological systems in which exciton transport plays a key role. © 2015 American Physical Society. Source

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