Molecular dynamics calculations of the liquid–gas interface for a two dimensional fluid

1975 ◽  
Vol 62 (4) ◽  
pp. 1589-1590 ◽  
Author(s):  
So/ren Toxvaerd
Keyword(s):  
Molecular Dynamics ◽  
Two Dimensional ◽  
Molecular Dynamics Calculations

Conformation of deltorphin-II in membrane environment studied by two-dimensional NMR spectroscopy and molecular dynamics calculations

1993 ◽  
Vol 212 (1) ◽  
pp. 185-191 ◽  
Author(s):  
Yasunori OHNO ◽  
Motozumi SEGAWA ◽  
Hirofumi OHISHI ◽  
Mitsunobu DOI ◽  
Kunihiro KITAMURA ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Nmr Spectroscopy ◽  
Two Dimensional ◽  
Molecular Dynamics Calculations ◽  
Deltorphin Ii

Molecular-Dynamics Calculations of Two-Dimensional Sine-Gordon Lattice

1982 ◽  
Vol 51 (5) ◽  
pp. 1329-1330 ◽  
Author(s):  
Fumio Yoshida ◽  
Yukio Okwamoto ◽  
Tsuneyoshi Nakayama
Keyword(s):  
Molecular Dynamics ◽  
Two Dimensional ◽  
Molecular Dynamics Calculations

Two-dimensional tricycle arsenene with a direct band gap

2016 ◽  
Vol 18 (12) ◽  
pp. 8723-8729 ◽  
Author(s):  
ShuangYing Ma ◽  
Pan Zhou ◽  
L. Z. Sun ◽  
K. W. Zhang
Keyword(s):  
Molecular Dynamics ◽  
High Temperature ◽  
Ab Initio ◽  
Band Gap ◽  
Finite Temperature ◽  
Two Dimensional ◽  
Comprehensive Investigation ◽  
Direct Band Gap ◽  
Molecular Dynamics Calculations ◽  
Direct Band

Based on a comprehensive investigation includingab initiophonon and finite-temperature molecular dynamics calculations, we find that two-dimensional tricycle-shaped arsenene (T-As) is robust and even stable under high temperature.

MOLECULAR DYNAMICS CALCULATIONS OF NEAR-CRITICAL LIQUID OXYGEN DROPLET SURFACE TENSION

2005 ◽  
Vol 15 (4) ◽  
pp. 413-422 ◽  
Author(s):  
Michael M. Micci ◽  
S. J. Lee ◽  
B. Vieille ◽  
C. Chauveau ◽  
Iskendar Gokalp
Keyword(s):  
Molecular Dynamics ◽  
Surface Tension ◽  
Droplet Surface ◽  
Liquid Oxygen ◽  
Molecular Dynamics Calculations

Dynamics and kinetics of the Si(1D) + H2/D2 reactions on a new global ab initio potential energy surface

2021 ◽  
Vol 23 (10) ◽  
pp. 6141-6153
Author(s):  
Jianwei Cao ◽  
Yanan Wu ◽  
Haitao Ma ◽  
Zhitao Shen ◽  
Wensheng Bian
Keyword(s):  
Molecular Dynamics ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Quantum Dynamics ◽  
Energy Surface ◽  
Molecular Dynamics Calculations ◽  
Ring Polymer ◽  
Ring Polymer Molecular Dynamics ◽  
Kinetics Of

Quantum dynamics and ring polymer molecular dynamics calculations reveal interesting dynamical and kinetic behaviors of an endothermic complex-forming reaction.

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