THERMAL STABILITY OF BENZOROD ARRAYS: MOLECULAR-DYNAMICS SIMULATIONS

2005 ◽  
Vol 16 (05) ◽  
pp. 827-834 ◽  
Author(s):  
OSMAN BARIS MALCIOGLU ◽  
ŞAKIR ERKOÇ
Keyword(s):  
Molecular Dynamics ◽  
Thermal Stability ◽  
Molecular Dynamics Simulations ◽  
Elevated Temperatures ◽  
Thermally Stable ◽  
Classical Molecular Dynamics ◽  
Benzene Rings ◽  
Dynamics Simulations ◽  
Thermal Stability Of

A set of Benzorod arrays on a graphene substrate has been investigated by performing classical molecular-dynamics simulations. Benzorod is composed of aligned and dehydrogenated benzene rings that are stacked to form a rod-like structure. It has been found that the arrays considered are thermally stable up to elevated temperatures, with a dependence on length.

scholarly journals A study of the structural properties and thermal stability of human Bcl-2 by molecular dynamics simulations

2013 ◽  
Vol 32 (11) ◽  
pp. 1707-1719 ◽  
Author(s):  
Ian Ilizaliturri-Flores ◽  
José Correa-Basurto ◽  
Claudia G. Benítez-Cardoza ◽  
Absalom Zamorano-Carrillo
Keyword(s):  
Molecular Dynamics ◽  
Thermal Stability ◽  
Molecular Dynamics Simulations ◽  
Structural Properties ◽  
Dynamics Simulations ◽  
Thermal Stability Of

scholarly journals Molecular dynamics simulations of nanoscale engravings on an alkanethiol monolayer

RSC Advances ◽  
2017 ◽  
Vol 7 (56) ◽  
pp. 35537-35542 ◽  
Author(s):  
Zhengqing Zhang ◽  
Yoonho Ahn ◽  
Joonkyung Jang
Keyword(s):  
Molecular Dynamics ◽  
Thermal Stability ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations ◽  
Thermal Stability Of

Thermal stability of nanoscale engravings on alkanethiol monolayer.

scholarly journals Thermal Stability of Globins: Implications of Flexibility and Heme Coordination Studied by Molecular Dynamics Simulations

2018 ◽  
Vol 59 (1) ◽  
pp. 441-452 ◽  
Author(s):  
Laia Julió Plana ◽  
Alejandro D. Nadra ◽  
Dario A. Estrin ◽  
F. Javier Luque ◽  
Luciana Capece
Keyword(s):  
Molecular Dynamics ◽  
Thermal Stability ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations ◽  
Thermal Stability Of

Thermal Stability of Ag13– Clusters Studied by Ab Initio Molecular Dynamics Simulations

2020 ◽  
Vol 124 (22) ◽  
pp. 4325-4332
Author(s):  
Hai-Sheng Li ◽  
Donghui Wei ◽  
Xingju Zhao ◽  
Xiaoyan Ren ◽  
Dawei Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Thermal Stability ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Ab Initio Molecular Dynamics ◽  
Dynamics Simulations ◽  
Thermal Stability Of
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