scholarly journals X-Ray Diffraction and Computer Simulation Studies of the Structure of Liquid Aliphatic Aldehydes: From Propanal to Nonanal

2018 ◽  
Vol 255 (11) ◽  
pp. 1800127 ◽  
Author(s):  
Ildikó Pethes ◽  
László Temleitner ◽  
Matija Tomšič ◽  
Andrej Jamnik ◽  
László Pusztai
Keyword(s):  
Computer Simulation ◽  
Simulation Studies ◽  
X Ray Diffraction ◽  
Aliphatic Aldehydes ◽  
X Ray ◽  
Computer Simulation Studies ◽  
Structure Of Liquid

scholarly journals High-pressure x-ray scattering and computer simulation studies of density-induced polyamorphism in silicon

2007 ◽  
Vol 75 (22) ◽  
Author(s):  
Dominik Daisenberger ◽  
Mark Wilson ◽  
Paul F. McMillan ◽  
Raul Quesada Cabrera ◽  
Martin C. Wilding ◽  
...  
Keyword(s):  
Computer Simulation ◽  
High Pressure ◽  
Simulation Studies ◽  
X Ray ◽  
X Ray Scattering ◽  
Computer Simulation Studies ◽  
Ray Scattering

Diffraction Studies of Water Under Pressure

1983 ◽  
Vol 22 ◽  
Author(s):  
G.W. Neilson
Keyword(s):  
Computer Simulation ◽  
Real Space ◽  
Simulation Methods ◽  
Simulation Studies ◽  
Comprehensive Understanding ◽  
X Ray ◽  
Coordination Numbers ◽  
The Past ◽  
Computer Simulation Studies ◽  
Short Range Structure

During the past decade, improvements in experimental techniques and computer simulation methods have led to a more comprehensive understanding of the properties of water [1]. Foremost amongst these are X-ray and neutron diffraction which provide information directly of the microscopic structure [2]. Such information is in the form of a structure factor F(k) and its real space Fourier transformation G(r). F(k) and G(r) can be used to test the various models of water used in computer simulation studies. G(r) can also provide a basic picture of the short range structure of water characterised by interparticle separations and coordination numbers.

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