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Volume 36; Issue 14
Main
Molecular Simulation
Volume 36; Issue 14
Molecular Simulation
Volume 36; Issue 14
1
First-principle study of the native defects in GaAs saturable absorbers
Tang, Wenjing
,
Li, Dechun
,
Zhao, Shengzhi
,
Li, Guiqiu
,
Yang, Kejian
Journal:
Molecular Simulation
Year:
2010
Language:
english
File:
PDF, 235 KB
Your tags:
english, 2010
2
pH response of conformation of poly(propylene imine) dendrimer in water: a molecular simulation study
Wu, Chaofu
Journal:
Molecular Simulation
Year:
2010
Language:
english
File:
PDF, 1.04 MB
Your tags:
english, 2010
3
Molecular simulation of imidazolium amino acid-based ionic liquids
Liu, Xiaomin
,
Zhou, Guohui
,
Zhang, Suojiang
,
Wu, Guangwen
Journal:
Molecular Simulation
Year:
2010
Language:
english
File:
PDF, 592 KB
Your tags:
english, 2010
4
The bridge between first-principles calculations and grand canonical Monte Carlo simulations: Morse and Lennard-Jones force fields
Li, Kunjie
,
Cao, Dapeng
Journal:
Molecular Simulation
Year:
2010
Language:
english
File:
PDF, 236 KB
Your tags:
english, 2010
5
Molecular dynamics simulation of macromolecules using graphics processing unit
Xu, Ji
,
Ren, Ying
,
Ge, Wei
,
Yu, Xiang
,
Yang, Xiaozhen
,
Li, Jinghai
Journal:
Molecular Simulation
Year:
2010
Language:
english
File:
PDF, 1.03 MB
Your tags:
english, 2010
6
Automated force field optimisation of small molecules using a gradient-based workflow package
Hülsmann, Marco
,
Müller, Thomas J.
,
Ködderman, Thorsten
,
Reith, Dirk
Journal:
Molecular Simulation
Year:
2010
Language:
english
File:
PDF, 288 KB
Your tags:
english, 2010
7
Accurate ab initio calculation of the Ar–CF 4 intermolecular potential energy surface
Shen, Ching-Chi
,
Chang, Rong-Yeu
Journal:
Molecular Simulation
Year:
2010
Language:
english
File:
PDF, 358 KB
Your tags:
english, 2010
8
Histogram of number of particles as an indicator for 2D phase transition in adsorption of gases on graphite
Herrera, L.F.
,
Do, D.D.
,
Birkett, G.R.
Journal:
Molecular Simulation
Year:
2010
Language:
english
File:
PDF, 446 KB
Your tags:
english, 2010
9
Optimisation of OPLS–UA force-field parameters for protein systems using protein data bank
Sakae, Yoshitake
,
Okamoto, Yuko
Journal:
Molecular Simulation
Year:
2010
Language:
english
File:
PDF, 389 KB
Your tags:
english, 2010
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