A molecular dynamics study of electronic absorption line broadening in high‐pressure nonpolar gases

1995 ◽  
Vol 103 (18) ◽  
pp. 7673-7684 ◽  
Author(s):  
T. Kalbfleisch ◽  
R. Fan ◽  
J. Roebber ◽  
P. Moore ◽  
E. Jacobsen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
High Pressure ◽  
Absorption Line ◽  
Electronic Absorption ◽  
Line Broadening

scholarly journals Natural and magnetic circular dichroism spectra of nucleosides: effect of the dynamics and environment

RSC Advances ◽  
2021 ◽  
Vol 11 (14) ◽  
pp. 8411-8419
Author(s):  
Jakub Kaminský ◽  
Valery Andrushchenko ◽  
Petr Bouř
Keyword(s):  
Molecular Dynamics ◽  
Circular Dichroism ◽  
Nucleic Acids ◽  
Electronic Absorption ◽  
Magnetic Circular Dichroism ◽  
Circular Dichroism Spectra ◽  
Circular Dichroïsm ◽  
Magnetic Circular Dichroism Spectra

Electronic absorption, natural and magnetic circular dichroism spectra of several nucleosides are simulated to understand their dependence on molecular dynamics and environment, their sensitivity to nucleoside pairing and stacking in nucleic acids.

scholarly journals High-Pressure Transformation ofSiO2Glass from a Tetrahedral to an Octahedral Network: A Joint Approach Using Neutron Diffraction and Molecular Dynamics

2014 ◽  
Vol 113 (13) ◽  
Author(s):  
Anita Zeidler ◽  
Kamil Wezka ◽  
Ruth F. Rowlands ◽  
Dean A. J. Whittaker ◽  
Philip S. Salmon ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
High Pressure ◽  
Neutron Diffraction ◽  
Joint Approach

scholarly journals Molecular dynamics study of pressure-driven water transport through graphene bilayers

2016 ◽  
Vol 18 (3) ◽  
pp. 1886-1896 ◽  
Author(s):  
Bo Liu ◽  
Renbing Wu ◽  
Julia A. Baimova ◽  
Hong Wu ◽  
Adrian Wing-Keung Law ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
High Pressure ◽  
Water Transport ◽  
Layered Structures ◽  
Water Molecules ◽  
Flow Rates ◽  
Ultra High Pressure ◽  
Pressure Driven Flow ◽  
Pressure Driven

Water molecules form layered structures inside graphene bilayers and ultra-high pressure-driven flow rates can be observed.

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