Journal ArticleDOI
The molecular and crystal structure of dimethyl sulfoxide, (H3C)2SO
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This article is published in Acta Crystallographica.The article was published on 1966-07-01. It has received 185 citations till now. The article focuses on the topics: Dimethyl sulfoxide & Crystal structure.read more
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Structure and hydrogen bond dynamics of water–dimethyl sulfoxide mixtures by computer simulations
Alenka Luzar,David Chandler +1 more
TL;DR: Soper et al. as discussed by the authors used two different force field models to study concentrated dimethyl sulfoxide (DMSO)-water solutions by molecular dynamics, and the pattern of hydrogen bonding and the distribution of hydrogen bond lifetimes in the simulated mixtures were further investigated.
Structure and hydrogen bond dynamics of water-dimethyl sulfoxide mixtures by computer simulations. Interim report, April 1992-October 1993
A. Luzar,D. Chandler +1 more
TL;DR: In this paper, the authors used two different force field models to study concentrated dimethyl sulfoxide (DMSO)-water solutions by molecular dynamics, and the results of these simulations are shown to compare well with recent neutron diffraction experiments using H/D isotope substitution.
Journal ArticleDOI
Application of the RESP Methodology in the Parametrization of Organic Solvents
Thomas R. Fox,Peter A. Kollman +1 more
TL;DR: In this article, the AMBER force field was used for nonaqueous solvents such as dimethyl sulfoxide, ethanol, CCl4, CHCl3, and CH2Cl2.
Journal ArticleDOI
Structure and bonding in metal sulfoxide complexes
Mario Calligaris,Oliviero Carugo +1 more
TL;DR: In this paper, structural parameters of free and coordinated sulfoxides are comprehensively reviewed and average values derived, and principal component analyses have been performed in order to evidence the deformation pathways of sulfoxide upon coordination.
Journal ArticleDOI
The Structure of Lithium Compounds of Sulfones, Sulfoximides, Sulfoxides, Thioethers and 1,3-Dithianes, Nitriles, Nitro Compounds and Hydrazones
TL;DR: In this article, the authors summarize recent research into the structures of the acceptor-substituted lithio compounds of sulfones, sulfoximides, sulfoxide, thioethers and 1,3-dithianes, nitriles, nitro compounds, and hydrazones.
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Structure and hydrogen bond dynamics of water–dimethyl sulfoxide mixtures by computer simulations
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