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Volume 39; Issue 9
Main
Molecular Simulation
Volume 39; Issue 9
Molecular Simulation
Volume 39; Issue 9
1
The effect of ruthenium on the performance of porphyrin dye and porphyrin–fullerene dyad solar cells predicted by DFT and TD-DFT calculations
Shalabi, A.S.
,
Abdel Aal, S.
,
El Mahdy, A.M.
Journal:
Molecular Simulation
Year:
2013
Language:
english
File:
PDF, 389 KB
Your tags:
english, 2013
2
Parametric dependence on shear viscosity of SPC/E water from equilibrium and non-equilibrium molecular dynamics simulations
Sunda, Anurag Prakash
,
Venkatnathan, Arun
Journal:
Molecular Simulation
Year:
2013
Language:
english
File:
PDF, 260 KB
Your tags:
english, 2013
3
Molecular simulation study of the assembly of DNA-functionalised nanoparticles: Effect of DNA strand sequence and composition
Seifpour, Arezou
,
Dahl, Steven R.
,
Lin, Brandon
,
Jayaraman, Arthi
Journal:
Molecular Simulation
Year:
2013
Language:
english
File:
PDF, 486 KB
Your tags:
english, 2013
4
Pseudo-Verlet lists: a new, compact neighbour list representation
Gonnet, Pedro
Journal:
Molecular Simulation
Year:
2013
Language:
english
File:
PDF, 135 KB
Your tags:
english, 2013
5
A molecular dynamics study of liquid aliphatic alcohols: simulation of density and self-diffusion coefficient using a modified OPLS force field
Kulschewski, Tobias
,
Pleiss, Jürgen
Journal:
Molecular Simulation
Year:
2013
Language:
english
File:
PDF, 254 KB
Your tags:
english, 2013
6
Impact sensitivity and nucleus-independent chemical shift for aromatic explosives
Zhou, Yang
,
Du, Jun-Liang
,
Long, Xin-Ping
,
Shu, Yuan-Jie
Journal:
Molecular Simulation
Year:
2013
Language:
english
File:
PDF, 185 KB
Your tags:
english, 2013
7
Structures and energies of isomers of 1-nitroso-3-nitro-1,2,4-triazol-5-one-2-oxide
Ravi, P.
,
Tewari, Surya P.
Journal:
Molecular Simulation
Year:
2013
Language:
english
File:
PDF, 279 KB
Your tags:
english, 2013
8
Wetting characterisation of silicon (1,0,0) surface
Barisik, Murat
,
Beskok, Ali
Journal:
Molecular Simulation
Year:
2013
Language:
english
File:
PDF, 771 KB
Your tags:
english, 2013
9
Stress evolution during deposition of heteroepitaxial systems
Zientarski, T.
,
Chocyk, D.
Journal:
Molecular Simulation
Year:
2013
Language:
english
File:
PDF, 749 KB
Your tags:
english, 2013
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