Old School Techniques with Modern Capabilities: Kinetics Determination of Dynamical Information Such as Barriers, Multiple Entrance Channel Complexes, Product States, Spin Crossings, and Size Effects in Metallic Ion–Molecule Reactions

2021 ◽  
Author(s):  
Shaun G. Ard ◽  
Albert A. Viggiano ◽  
Nicholas S. Shuman
Keyword(s):  
Size Effects ◽  
Entrance Channel ◽  
Ion Molecule Reactions ◽  
Dynamical Information

Determination of Size Effects during the Phase Transition of a Nanoscale Au-Si Eutectic

2009 ◽  
Vol 103 (15) ◽  
Author(s):  
B. J. Kim ◽  
J. Tersoff ◽  
C.-Y. Wen ◽  
M. C. Reuter ◽  
E. A. Stach ◽  
...  
Keyword(s):  
Phase Transition ◽  
Size Effects

Structure determination of the 1/1 α/β mixed lactose by X-ray powder diffraction

2005 ◽  
Vol 61 (4) ◽  
pp. 455-463 ◽  
Author(s):  
Jacques Lefebvre ◽  
Jean-François Willart ◽  
Vincent Caron ◽  
Ronan Lefort ◽  
Frédéric Affouard ◽  
...  
Keyword(s):  
Powder Diffraction ◽  
Size Effects ◽  
Room Temperature ◽  
Real Space ◽  
Hydroxyl Groups ◽  
Soft Constraints ◽  
Rietveld Refinements ◽  
X Ray ◽  
Mixed Compound

The mixed form of α/β lactose was obtained by heating amorphous α-lactose at 443 K. NMR spectroscopy determined the stoichiometry of this mixed compound to be 1/1. The X-ray powder diffraction pattern was recorded at room temperature with a sensitive curved detector (CPS 120). The structure was solved by real-space methods (simulated annealing) followed by Rietveld refinements with soft constraints on bond lengths and bond angles. The H atoms of the hydroxyl groups were localized by minimization of the crystalline energy. The cell of 1/1 α/β lactose is triclinic with the space group P1 and contains two molecules (one molecule of each anomer). The crystalline cohesion is achieved by networks of O—H...O hydrogen bonds. The width of the Bragg peaks is interpreted through a microstructural approach in terms of isotropic strain effects and anisotropic size effects.

The fluoroformate ion, FCO2−. An ion cyclotron resonance study of the gas phase Lewis acidity of carbon dioxide and related isoelectronic species

1978 ◽  
Vol 56 (8) ◽  
pp. 1069-1074 ◽  
Author(s):  
Terrance Brian McMahon ◽  
Colleen Joan Northcott
Keyword(s):  
Carbon Dioxide ◽  
Gas Phase ◽  
Lewis Acidity ◽  
Ion Cyclotron Resonance ◽  
Dissociation Energies ◽  
Ion Molecule Reactions ◽  
Gas Phase Acidity ◽  
Gas Phase Ion ◽  
Carbonyl Fluoride

The gas phase ion molecule reactions of a number of potential fluoride donors with carbon dioxide and carbonyl fluoride have been studied. By determination of preferential directions of fluoride transfer the fluoride affinities of carbon dioxide and carbonyl fluoride have been bracketed and found to be 33 ± 3 kcal/mol and 35 + 3 kcal/mol respectively. In addition, from gas phase acidity studies of acetyl fluoride and 2-fluoropropene the fluoride affinities of ketene and allene have been calculated to be 38 ± 2 kcal/mol and 15 ± 2 kcal/mol respectively. The order of fluoride affinities (Lewis acidities) of carbon dioxide, ketene, and allene have been examined and explained in terms of the electron affinities of the F—C(A)(B) species (A,B=O,CH2) and the C—F bond dissociation energies. These quantities have been estimated and the latter interpreted on the basis of the π bond energies of the three compounds.

Particle size effects in the determination of respirable .alpha.-quartz by x-ray diffraction

1977 ◽  
Vol 49 (14) ◽  
pp. 2196-2203 ◽  
Author(s):  
J. W. Edmonds ◽  
W. W. Henslee ◽  
R. E. Guerra
Keyword(s):  
Particle Size ◽  
Size Effects ◽  
X Ray Diffraction ◽  
X Ray ◽  
Particle Size Effects

On sample size effects in fracture toughness determination of Bulk Metallic Glasses

2018 ◽  
Vol 202 ◽  
pp. 500-507 ◽  
Author(s):  
D. Geissler ◽  
J. Freudenberger ◽  
H. Wendrock ◽  
M. Zimmermann ◽  
A. Gebert
Keyword(s):  
Fracture Toughness ◽  
Sample Size ◽  
Metallic Glasses ◽  
Size Effects ◽  
Bulk Metallic Glasses
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