scholarly journals Rotation misorientated graphene moiré superlattices on Cu (111): Classical molecular dynamics simulations and scanning tunneling microscopy studies

Carbon ◽  
2014 ◽  
Vol 77 ◽  
pp. 1082-1089 ◽  
Author(s):  
P. Süle ◽  
M. Szendrő ◽  
C. Hwang ◽  
L. Tapasztó
Keyword(s):  
Molecular Dynamics ◽  
Scanning Tunneling Microscopy ◽  
Molecular Dynamics Simulations ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Classical Molecular Dynamics ◽  
Dynamics Simulations

Self-assembly of alkylcatechols on HOPG investigated by scanning tunneling microscopy and molecular dynamics simulations

CrystEngComm ◽  
2012 ◽  
Vol 14 (1) ◽  
pp. 264-271 ◽  
Author(s):  
Javier Saiz-Poseu ◽  
Isaac Alcón ◽  
Ramon Alibés ◽  
Félix Busqué ◽  
Jordi Faraudo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Scanning Tunneling Microscopy ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Dynamics Simulations

scholarly journals Peptide conformation and oligomerization characteristics of surface-mediated assemblies revealed by molecular dynamics simulations and scanning tunneling microscopy

RSC Advances ◽  
2019 ◽  
Vol 9 (70) ◽  
pp. 41345-41350 ◽  
Author(s):  
Yimin Zou ◽  
Bin Tu ◽  
Lanlan Yu ◽  
Yongfang Zheng ◽  
Yuchen Lin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Scanning Tunneling Microscopy ◽  
Bound States ◽  
Peptide Conformation ◽  
Md Simulations ◽  
Scanning Tunneling ◽  
Model Structure ◽  
Tunneling Microscopy ◽  
Peptide Conformations ◽  
Dynamics Simulations

The characteristics of peptide conformations in both solution and surface-bound states, using poly-glycine as a model structure, are analyzed by using molecular dynamics (MD) simulations and scanning tunneling microscopy (STM).

On the structure of biomedical silver-doped phosphate-based glasses from molecular dynamics simulations

2014 ◽  
Vol 16 (39) ◽  
pp. 21135-21143 ◽  
Author(s):  
Richard I. Ainsworth ◽  
Jamieson K. Christie ◽  
Nora H. de Leeuw
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
First Principles ◽  
Classical Molecular Dynamics ◽  
Dynamics Simulations

First-principles and classical molecular dynamics simulations have been carried out on undoped and silver-doped phosphate-based glasses with 50 mol% P2O5, 0–20 mol% Ag2O, and varying amounts of Na2O and CaO.

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