Structure of dense hydrogen fluoride gas from neutron diffraction and molecular dynamics simulations

2005 ◽  
Vol 122 (15) ◽  
pp. 154511 ◽  
Author(s):  
Markus Kreitmeir ◽  
Gerhard Heusel ◽  
Helmut Bertagnolli ◽  
Klaus Tödheide ◽  
Christopher J. Mundy ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Neutron Diffraction ◽  
Molecular Dynamics Simulations ◽  
Hydrogen Fluoride ◽  
Dynamics Simulations

scholarly journals Temperature-dependent structure of methanol-water mixtures on cooling: X-ray and neutron diffraction and molecular dynamics simulations

2020 ◽  
Vol 314 ◽  
pp. 113664
Author(s):  
Ildikó Pethes ◽  
László Pusztai ◽  
Koji Ohara ◽  
Shinji Kohara ◽  
Jacques Darpentigny ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Neutron Diffraction ◽  
Molecular Dynamics Simulations ◽  
Temperature Dependent ◽  
X Ray ◽  
Dynamics Simulations

Anesthetics significantly increase the amount of intramembrane water in lipid membranes

Soft Matter ◽  
2020 ◽  
Vol 16 (42) ◽  
pp. 9674-9682
Author(s):  
Sebastian Himbert ◽  
Lili Zhang ◽  
Richard J. Alsop ◽  
Viviana Cristiglio ◽  
Giovanna Fragneto ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Neutron Diffraction ◽  
Molecular Dynamics Simulations ◽  
Water Content ◽  
Lipid Bilayers ◽  
Lipid Membranes ◽  
Water Distribution ◽  
Dynamics Simulations

We studied the effect anesthetics on the water distribution in lipid bilayers by combining all-atom molecular dynamics simulations and neutron diffraction experiments. We found that anesthetics increase the intramembrane water content by up to 25%.

Neutron diffraction data and molecular dynamics simulations of the molten mixture Ag(Br0.7I0.3)

2006 ◽  
Vol 125 (18) ◽  
pp. 184510 ◽  
Author(s):  
Vicente Bitrián ◽  
Joaquim Trullàs ◽  
Moises Silbert ◽  
Takeshi Enosaki ◽  
Yukinobu Kawakita ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Neutron Diffraction ◽  
Molecular Dynamics Simulations ◽  
Diffraction Data ◽  
Neutron Diffraction Data ◽  
Molten Mixture ◽  
Dynamics Simulations

X-ray and neutron diffraction studies and molecular dynamics simulations of liquid DMSO

2004 ◽  
Vol 6 (9) ◽  
pp. 2136-2144 ◽  
Author(s):  
Usa Onthong ◽  
Tünde Megyes ◽  
Imre Bakó ◽  
Tamás Radnai ◽  
Tamás Grósz ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Neutron Diffraction ◽  
Molecular Dynamics Simulations ◽  
X Ray ◽  
Dynamics Simulations
Sign in / Sign up

Export Citation Format

Share Document