| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio crystal structure prediction. II. Flexible molecules
|
Karamertzanis, P. G.
|
|
2007
|
105 |
2-3 |
p. 273-291
|
artikel
|
| 2 |
APT a next generation QM-based reactive force field model
|
Rappe, A. K.
|
|
2007
|
105 |
2-3 |
p. 301-324
|
artikel
|
| 3 |
A simple analytical approach to electrostatics for nanoparticles with torus-like elements in 1:1 electrolyte solution
|
Andreev, V. A.
|
|
2007
|
105 |
2-3 |
p. 239-247
|
artikel
|
| 4 |
Atomic scale design of nanostructures
|
Bernholc, J.
|
|
2007
|
105 |
2-3 |
p. 147-156
|
artikel
|
| 5 |
Atomistic modelling of the interaction between peptides and carbon nanotubes
|
Tomasio, S. De Miranda
|
|
2007
|
105 |
2-3 |
p. 221-229
|
artikel
|
| 6 |
Calibration of chemical bonding between benzenedithiolate and gold: the effects of geometry and size of gold clusters
|
Leng, Y. S.
|
|
2007
|
105 |
2-3 |
p. 293-300
|
artikel
|
| 7 |
Cluster-associated filling of water molecules in slit-shaped graphitic nanopores
|
Ohba, Tomonori
|
|
2007
|
105 |
2-3 |
p. 139-145
|
artikel
|
| 8 |
Comparison of theoretical approaches for predicting the UV/Vis spectra of anthraquinones
|
Jacquemin, Denis
|
|
2007
|
105 |
2-3 |
p. 325-331
|
artikel
|
| 9 |
Educational aspects of molecular simulation
|
Allen, Michael P.
|
|
2007
|
105 |
2-3 |
p. 157-166
|
artikel
|
| 10 |
Emerging methods for multiscale simulation of biomolecular systems
|
Chu, J.-W.
|
|
2007
|
105 |
2-3 |
p. 167-175
|
artikel
|
| 11 |
Implications of microscopic simulations of polymer melts for mean-field tube theories
|
Shanbhag, Sachin
|
|
2007
|
105 |
2-3 |
p. 249-260
|
artikel
|
| 12 |
Modelling nucleation and nano-particle structures
|
Mora-Fonz, M. J.
|
|
2007
|
105 |
2-3 |
p. 177-187
|
artikel
|
| 13 |
Molecular simulation and theoretical modeling of polyhedral oligomeric silsesquioxanes
|
Peng, Y.
|
|
2007
|
105 |
2-3 |
p. 261-272
|
artikel
|
| 14 |
Pressure dependence of the compressibility of a micelle and a protein: insights from cavity formation analysis
|
Pereira, Brian
|
|
2007
|
105 |
2-3 |
p. 189-199
|
artikel
|
| 15 |
Sequential updating algorithms for grand canonical Monte Carlo simulations
|
Ren, Ruichao
|
|
2007
|
105 |
2-3 |
p. 231-238
|
artikel
|
| 16 |
The structure of the gas-phase tyrosine-glycine-glycine tripeptide
|
Toroz, D.
|
|
2007
|
105 |
2-3 |
p. 209-220
|
artikel
|
| 17 |
Third Foundations of Molecular Modeling and Simulation Conference FOMMS 2006
|
McCabe, C.
|
|
2007
|
105 |
2-3 |
p. 137
|
artikel
|
| 18 |
Water, proton, and ion transport: from nanotubes to proteins
|
Hummer, Gerhard
|
|
2007
|
105 |
2-3 |
p. 201-207
|
artikel
|
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