| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A density functional theory study on the water formation at high coverages and the water effect in the Fischer-Tropsch synthesis
|
Gong, Xue-Qing
|
|
2004
|
102 |
9-10 |
p. 993-1000
|
artikel
|
| 2 |
A Maxwell relation for current-induced forces
|
Sutton, A. P.
|
|
2004
|
102 |
9-10 |
p. 919-925
|
artikel
|
| 3 |
Ammonium cyanate: a DFT study of crystal structure, rotational barriers and vibrational spectrum
|
Alavi, Ali
|
|
2004
|
102 |
9-10 |
p. 869-876
|
artikel
|
| 4 |
An investigation of the effects of the structure of gel materials on their adsorptive properties using a simple lattice-gas model
|
Salazar, Rafael
|
|
2004
|
102 |
9-10 |
p. 1015-1030
|
artikel
|
| 5 |
Anomalous diffusion of linear and branched pentanes within zeolite NaY
|
Bhide, Shreyas Y.
|
|
2004
|
102 |
9-10 |
p. 1057-1066
|
artikel
|
| 6 |
Atomic-size effect in hydrogen-induced amorphization
|
Katagiri, Masahiko
|
|
2004
|
102 |
9-10 |
p. 1001-1005
|
artikel
|
| 7 |
Coarse-grain molecular dynamics simulations of diblock copolymer surfactants interacting with a lipid bilayer
|
Srinivas, Goundla
|
|
2004
|
102 |
9-10 |
p. 883-889
|
artikel
|
| 8 |
Computational studies of protein-peptide interactions with systematic mutation of residues
|
Clare, Dominic F.
|
|
2004
|
102 |
9-10 |
p. 939-951
|
artikel
|
| 9 |
Computational study of imidazolium-based ionic solvents with alkyl substituents of different lengths
|
Margulis, C. J.
|
|
2004
|
102 |
9-10 |
p. 829-838
|
artikel
|
| 10 |
Direct detection of chlorine-35 multiple-quantum NMR transitions in a single crystal of sodium chlorate
|
Khasawneh, Maysoon
|
|
2004
|
102 |
9-10 |
p. 975-983
|
artikel
|
| 11 |
Dynamics in crystals of rigid organic molecules: contrasting the phonon frequencies calculated by molecular dynamics with harmonic lattice dynamics for imidazole and 5-azauracil
|
Gray, A. E.
|
|
2004
|
102 |
9-10 |
p. 1067-1083
|
artikel
|
| 12 |
Editorial
|
|
|
2004
|
102 |
9-10 |
p. 827-828
|
artikel
|
| 13 |
Field-evaporation from first-principles
|
Sanchez, C. G.
|
|
2004
|
102 |
9-10 |
p. 1045-1055
|
artikel
|
| 14 |
Ion pair state emission from I2 in rare gas matrices: effects of solvent induced symmetry breaking
|
Yu, N.
|
|
2004
|
102 |
9-10 |
p. 1031-1044
|
artikel
|
| 15 |
Linear screening of the electrostatic potential around spherical particles with non-spherical charge patterns
|
Hoffmann, Norman
|
|
2004
|
102 |
9-10 |
p. 857-867
|
artikel
|
| 16 |
Melting of atomic solids: effect of range and softness of interaction potentials
|
Chakraborty, Somendra Nath
|
|
2004
|
102 |
9-10 |
p. 909-918
|
artikel
|
| 17 |
Multiple proton translocation in biomolecular systems: concerted to stepwise transition in a simple model
|
Kohanoff, Jorge J.
|
|
2004
|
102 |
9-10 |
p. 1007-1014
|
artikel
|
| 18 |
NMR studies of 31P, 1H spin pairs in solid tin(II) phosphite and tin(II) hydrogen phosphate
|
Amornsakchai, Pornsawan
|
|
2004
|
102 |
9-10 |
p. 877-882
|
artikel
|
| 19 |
On the solvation of L-aspartic acid
|
Paxton, A. T.
|
|
2004
|
102 |
9-10 |
p. 953-958
|
artikel
|
| 20 |
Polydisperse hard sphere mixtures: equations of state and the melting transition
|
Huang, C. C.
|
|
2004
|
102 |
9-10 |
p. 967-973
|
artikel
|
| 21 |
Solid-liquid coexistence in ionic systems and the properties of the interface
|
Lanning, Oliver J.
|
|
2004
|
102 |
9-10 |
p. 839-855
|
artikel
|
| 22 |
Some further applications of discrete path sampling to cluster isomerization
|
Wales, David J.
|
|
2004
|
102 |
9-10 |
p. 891-908
|
artikel
|
| 23 |
Structure of NaCl and KCl concentrated aqueous solutions by ab initio molecular dynamics
|
Cavallari, Manuela
|
|
2004
|
102 |
9-10 |
p. 959-966
|
artikel
|
| 24 |
The electron spin relaxation and paramagnetic relaxation enhancement: an application of the stochastic Liouville equation in the Langevin form
|
Åman, Ken
|
|
2004
|
102 |
9-10 |
p. 1085-1093
|
artikel
|
| 25 |
The rotational centroid and its application in quantum molecular dynamics simulations
|
de la Pena, L. Hernandez
|
|
2004
|
102 |
9-10 |
p. 927-937
|
artikel
|
| 26 |
Transferable polarizabilities for the alkanes
|
Williams, Greg J.
|
|
2004
|
102 |
9-10 |
p. 985-991
|
artikel
|
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