Recent advances in the understanding of the syntheses, structures, bonding and energetics of the homopolyatomic cations of Groups 16 and 17
Graph Chatbot
Chat with Graph Search
Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.
DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.
The calculated difference in the standard heat of formation Delta Delta H-f degrees(298.15) of n- and i-C4H3 center dot free radicals is 37.9 kJ mol(-1) for G3MP2B3 and 45.0 kJ mol(-1) for CCSD(T)-CBS (W 1 U) calculations, which seems to preclude the direc ...
Using density functional calculations, we studied substoichiometric Ge oxides through a series of crystalline models representing the various oxidation states. We evaluated deviations with respect to a bond-energy description in terms of penalty energies f ...
The prototypal hexacoordinate C (phC) mol., CB62- (D6h), can be annulated by inserting arenes, olefins, or other one or two atom bridging groups into a perimeter B-B bond. Two single-atom units also can bridge opposite CB6 edges. These strategies allow the ...
Many natural products of biological interest contain [6,5]- and [6,6]-spiroketal moieties that can adopt various configurations, benefiting or not from anomeric conformation stabilizing effects. The spiroketal fragments are often important for the biologic ...
With the purpose of assessing the reactivity of chloride ions dissolved in ionic liquids (ILs), a relative scale for the solvation of chloride is given for a series of ILs based on the bis(trifluoromethane)sulfonimide ([Tf2N]) anion and differen ...
This thesis is concerned with supramolecular architectures assembled at metal surfaces. The investigations pursued two objectives. On the one hand, the focus was placed on the fabrication of low-dimensional surface-supported network structures by applying ...
Natural bond orbital (NBO) and topological electron density analyses have been used to investigate the electronic structure of phosphazenes [N3P3R6] (R = H, F, Cl, Br, CH3, CF3, N(C2H4< ...
Good quality ab initio calcns. (MP2) show that the water adducts of BX3 and CX3+ have totally different structures (X = F-I). While all H2O-BX3 complexes have classical Cs sym. structures with strong B-O bonds and addnl. H-bonding, the heavier CX3+ cations ...
We have performed a direct measurement of one of the most fundamental thermochemical values: the O-H bond energy in water. Using a triple-resonance laser excitation scheme, we excite the molecule through a series of vibrational overtone transitions to acce ...
