Local Ordering in Liquids:  Solvent Effects on the Hyperfine Couplings of the Cyclohexadienyl Radical

2007 ◽  
Vol 111 (1) ◽  
pp. 199-208 ◽  
Author(s):  
Danilo Vujošević ◽  
Herbert Dilger ◽  
Iain McKenzie ◽  
Aleksandra Martyniak ◽  
Robert Scheuermann ◽  
...  
Keyword(s):  
Solvent Effects ◽  
Local Ordering ◽  
Cyclohexadienyl Radical ◽  
Hyperfine Couplings

Local ordering in quadrupolar liquids observed by the hyperfine couplings of the cyclohexadienyl radical

2009 ◽  
Vol 404 (5-7) ◽  
pp. 927-929 ◽  
Author(s):  
H. Dilger ◽  
S. Hess ◽  
R. Scheuermann ◽  
D. Vujoevic` ◽  
I. McKenzie ◽  
...  
Keyword(s):  
Local Ordering ◽  
Cyclohexadienyl Radical ◽  
Hyperfine Couplings

μSR Studies of Hyperfine Couplings and Molecular Interactions of the Mu-Cyclohexadienyl Radical in Y-Zeolites and in Solid Bulk Benzene

2011 ◽  
Vol 115 (22) ◽  
pp. 11177-11191 ◽  
Author(s):  
Donald G. Fleming ◽  
Donald J. Arseneau ◽  
Mee Y. Shelley ◽  
Bettina Beck ◽  
Herbert Dilger ◽  
...  
Keyword(s):  
Molecular Interactions ◽  
Y Zeolites ◽  
Cyclohexadienyl Radical ◽  
Solid Bulk ◽  
Hyperfine Couplings

scholarly journals Modeling solvent effects on electron-spin-resonance hyperfine couplings by frozen-density embedding

2005 ◽  
Vol 123 (11) ◽  
pp. 114101 ◽  
Author(s):  
Johannes Neugebauer ◽  
Manuel J. Louwerse ◽  
Paola Belanzoni ◽  
Tomasz A. Wesolowski ◽  
Evert Jan Baerends
Keyword(s):  
Electron Spin Resonance ◽  
Electron Spin ◽  
Solvent Effects ◽  
Spin Resonance ◽  
Hyperfine Couplings

Electron-diffraction studies of amorphous carbon thin films

1993 ◽  
Vol 51 ◽  
pp. 1100-1101
Author(s):  
David A. Muller
Keyword(s):  
Thin Films ◽  
Electron Diffraction ◽  
Amorphous Carbon ◽  
Glassy Carbon ◽  
Spherical Structure ◽  
Local Ordering ◽  
Carbon Arc ◽  
Similar Appearance ◽  
Carbon Thin Films ◽  
Large Spherical

The sp2 rich amorphous carbons have a wide variety of microstructures ranging from flat sheetlike structures such as glassy carbon to highly curved materials having similar local ordering to the fullerenes. These differences are most apparent in the region of the graphite (0002) reflection of the energy filtered diffracted intensity obtained from these materials (Fig. 1). All these materials consist mainly of threefold coordinated atoms. This accounts for their similar appearance above 0.8 Å-1. The fullerene curves (b,c) show a string of peaks at distance scales corresponding to the packing of the large spherical and oblate molecules. The beam damaged C60 (c) shows an evolution to the sp2 amorphous carbons as the spherical structure is destroyed although the (220) reflection in fee fcc at 0.2 Å-1 does not disappear completely. This 0.2 Å-1 peak is present in the 1960 data of Kakinoki et. al. who grew films in a carbon arc under conditions similar to those needed to form fullerene rich soots.

Kinetic Solvent Effects in Organic Reactions

2017 ◽  
Author(s):  
Belinda Slakman ◽  
Richard West
Keyword(s):  
Solvent Effect ◽  
Reaction Kinetics ◽  
Computational Methods ◽  
High Throughput ◽  
Kinetic Modeling ◽  
Solvent Effects ◽  
Reaction Rates ◽  
Prior Work ◽  
Solvent Phase ◽  
High Throughput Manner

<div> <div> <div> <p>This article reviews prior work studying reaction kinetics in solution, with the goal of using this information to improve detailed kinetic modeling in the solvent phase. Both experimental and computational methods for calculating reaction rates in liquids are reviewed. Previous studies, which used such methods to determine solvent effects, are then analyzed based on reaction family. Many of these studies correlate kinetic solvent effect with one or more solvent parameters or properties of reacting species, but it is not always possible, and investigations are usually done on too few reactions and solvents to truly generalize. From these studies, we present suggestions on how best to use data to generalize solvent effects for many different reaction types in a high throughput manner. </p> </div> </div> </div>

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