Thermodynamic And Anharmonic Properties Of Forsterite, Alpha-Mg2Sio4 - Computer Modeling Versus High-Pressure And High-Temperature Measurements
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In this review ligand exchange and complex formation reactions on fac-[(CO)3M(H2O)3]+ (M = Mn, Tc, Re) and on fac-[(CO)2(NO)Re(H2O)3]2+ are presented. A variety of experimental NMR techniques are described and it is shown that sometimes combinations of tec ...
Protein folding stands as one of the major interdisciplinary challenges of the last ten years, involving biology, chemistry, medicine and physics. In this PhD thesis, we investigate the solvent effects and the resulting hydrophobic effect on proteins. In p ...
A novel experimental set-up was used to study superstable (magic) Ba-C-60 and K-C-60 compound clusters. The most stable systems observed cannot be rationalized by simple electronic or by geometrical shell filling arguments. Annealing the clusters past the ...
The structure and the associated dynamics have been investigated in a series of oligopeptides of γ-benzyl-L-glutamate using DSC, WAXS, FTIR, NMR and dielectric spectroscopy, and rheology, respectively. The peptides with degrees of polymerization below 18 a ...
From specific heat measurements of Ta + Ti alloyed Bronze Route multifilamentary Nb3Sn wires, a wide, nearly symmetric overall distribution of T-c can be determined. This is apparently in contradiction with the almost linear decrease of the Sn content towa ...
A thermodynamic model, the Gibbs Free-Energy Minimization model (GFEMN), was used to simulate the partitioning of PM2.5 nitrate aerosol and nitric acid using highly time-resolved inorganic measurements collected at the Pittsburgh Air Quality Study during J ...
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 ...
Macrophage migration inhibitory factor (MIF) is a multifunctional protein and a major mediator of innate immunity. Although X-ray crystallography revealed that MIF exists as a homotrimer, its oligomerization state in vivo and the factors governing its olig ...
The nucleation andthe crystal growth rates of mixed nickel manganese oxalates have been determined from the changes of the ionic concentration of the solution and the crystal size distribution during the precipitation process within a supersaturation range ...
We investigate the thermodynamic properties of a field-induced supersolid phase in a 2D quantum antiferromagnet model. Using quantum Monte Carlo simulations, a very rich phase diagram is mapped out in the temperature—magnetic-field plane, with an extended ...