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Charge-assisted hydrogen bonds (CAHBs) play critical roles in many systems from biology through to materials. In none of these areas has the role and function of CAHBs been explored satisfactorily because of the lack of data on the energy of CAHBs in the c ...
Polyiodides have been transferred intact from acetonitrile solution to the gas phase and analyzed by mass spectrometry. A range of ions were observed, including I-11, I-13, and I-15, which have higher iodine/iodide ratios than any previously ...
Gas-solid catalytic reaction systems depend on a combination of several dynamic eects, such as mass transfer, chemisorption and surface reactions taking place simultaneously. In this master thesis, the extension of the method of extent-based model identica ...
Recently we reported on the synthesis and characterization of a series of very weakly coordinating anions (WCA's) of type Al(OR)4- (R=poly or perfluorinated aliph. alkoxide). These anions produce "Pseudo Gas Phase Conditions" in the solid state that allo ...
Results of a theoretical study on the properties of Ir4 clusters in the gas–phase and on oxide surfaces are presented. The work is based on density functional theory (DFT) within the generalized gradient approximation (GGA) and ultrasoft pseudopotentials. ...
We report on microscopic observation of solvation by argon atoms of excited states of an ethylenic-like mol., TDMAE (tetrakis dimethylaminoethylene). Two exptl. methods were used: gas phase dynamics for the observation of the evolution through excited stat ...
A review on isolated cationic and neutral homoat. heavier group 15 cages and clusters, charged or non-charged assemblies of two or more elemental atoms E (E = P, As, Sb, Bi) without stabilizing (bulky) ligands. It focuses on the recent developments in the ...
A combination of time-dependent density functional theory and Born-Oppenheimer molecular dynamics methods is used to investigate fragmentation of doubly charged gas-phase uracil in collisions with 100 keV protons. The results are in good agreement with ion ...
A review. This review addresses the catalytic reactions performed in microstructured reactors, which are more and more recognized in recent years as a novel approach for chem. and chem. process industry. They are particularly suited for highly exothermic a ...
