Category Archives: Quantum chemistry

Author: Stefano Battaglia is a Ph.D. student (ITN-EJD-TCCM) at Université de Toulouse III. Since the Nobel Prize in Physics was awarded in 2010 to Andre Geim and Konstantin Novoselov for groundbreaking discoveries on the two-dimensional material graphene, the research in […]

Author: Ewa N. Szlapa is a is a Ph.D. student (ITN-EJD-TCCM) at Catholic University of Leuven. At the beginning of the development of chemistry as a science there was alchemy, which was considered to be a magicians’ business. An alchemist […]

Author: Tommaso Francese is a Ph.D. student (ITN-EJD-TCCM) at Universitat de Barcelona. Every year the amount of data produced is of the order of magnitude of the Avogadro’s constant, thus 6.028×1023. Let’s say that it is more or less the […]

In order to study new solid state magnetic properties appropiate new laboratory models are needed. In particular, there is a necessity for a substrate to investigate new forms of magnetic coupling with nanoscale ferromagnets and the exotic physics at the […]

Al13− is one of the most attractive of the so-called magic clusters. It has a perfect icosahedral symmetry with an aluminum atom at the center, a closed-shell electronic configuration (40 electrons), and a large highest occupied molecular orbital−lowest unoccupied […]

Silicon surfaces of crystalline solids are part of conventional electronics, but their exploitation in novel materials combining two-dimensional electron states (2DESs) and magnetism, which play an important role in the development of next-generation electronics, still remains elusive. The appearance of […]

In the early days of organic chemistry, the word aromatic was used to describe fragrant substances such as benzene (from coal distillate), benzaldehyde (from cherries, peaches, and almonds), and toluene (from tolu balsam). It was soon realized, however, that […]

As the search for renewable energy sources has intensified, the discovery of efficient and cheap technologies for exploiting the energy from the sunlight has emerged as a key challenge. . . Higher efficiency plays an increasingly important role in making competitive solar […]

We are all familiar with the equation of ideal gases: PV = nRT. To deduce this equation, an ideal model of the gas is considered. In this model, gases are composed of particles so tiny compared to the volume of […]

¨The chemical bond¨ is one of the most often used concepts in chemistry. It is also one of the eldest terms since the first definition of chemical bond comes from the studies of G.N. Lewis who published his classical paper […]