Trends in the singlet-triplet state-splittings of substituted carbenes are found to be reproduced accurately with a very simple level of ab initio theory. The minimum balanced description, GVB( 1 /2), with a simple basis set yields singlet-triplet gaps that correlate linearly with available accurate values. This linear relationship is exploited to predict the state-splitting for the remaining m...

Static magnetic measurements have been applied for the pressure-induced superconducting state in the P21=m phase of EtMe3P[Pd(dmit)2]2 (Et = C2H5, Me = CH3 and dmit 2 = 1,3-dithiol-2-thione-4,5dithiolate, C3S5 2 ), which exhibits valence bond (VB) ordering with a spin gap at ambient pressure. Evidence for bulk superconductivity is given. The pressure dependence of the transition temperature (Tc...

Computer programs such as MUSIC V or CSOUND lead to a huge number of sound examples, either in the synthesis or in the processing domain. The translation of such algorithms to real-time programs such as MAX-MSP allows these digitally created sounds to be used effectively in performance. This includes interpretation, expressivity, or even improvisation and creativity. This particular bias of our...

Some problems present in the treatment of opinions are: the use of informal, ironic and sarcastic language, abbreviations, orthographic and typographic mistakes, semantic compositionality, the cultural level and knowledge of language. These problems impose greater difficulty on opinion mining than on text mining in general. Therefore, the aim of our research is to develop computational solution...

Using the generalized valence bond method, we have examined numerous Li atom clusters (up to 13 atoms). Our conclusion is that the optimum metallic bonding involves singly-occupied orbitals localized i n t e r s t i t i a l l y , e.g., in bond midpoints, triangular hollows, and tetrahedra. For LiTR, the low energy isomers have local f ive-fold symmetry axes (as in an icosa~edron) but lead to lo...

The pressure-dependent relation between Eu valence and lattice structure in model compound EuO is studied with synchrotron-based x-ray spectroscopic and diffraction techniques. Contrary to expectation, a 7% volume collapse at ≈45  GPa is accompanied by a reentrant Eu valence transition into a lower valence state. In addition to highlighting the need for probing both structure and electronic sta...