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- Currently displaying 20481 - 20500 of 29283 publications
Supercooled Lennard-Jones liquids and glasses: A kinetic Monte Carlo approach
Journal of Non-Crystalline Solids
(2004)
336
218
Surface modification of fluorinated aluminas: Application of solid state NMR spectroscopy to the study of acidity and surface structure
Journal of Catalysis
(2004)
224
69
(doi: 10.1016/j.jcat.2004.02.013)
Poisson-Boltzmann Brownian dynamics of charged colloids in suspension
Computer Physics Communications
(2004)
159
73
(doi: 10.1016/j.cpc.2003.10.001)
Effect of Metastable Liquid−Liquid Demixing on the Morphology of Nucleated Polymer Crystals
Macromolecules
(2004)
37
4336
(doi: 10.1021/ma049581t)
NMR studies of molecular dynamics
FASEB JOURNAL
(2004)
18
C121
Complete functionalisation of small and large diameter bromopolystyrene beads; applications for solid-supported reagents, scavengers and diversity-oriented synthesisElectronic supplementary information (ESI) available: experimental techniques, apparatus, characterisation and spectroscopic data. See http://www.rsc.org/suppdata/ob/b4/b406488g/
Organic & biomolecular chemistry
(2004)
2
1679
(doi: 10.1039/b406488g)
2H MAS NMR studies of deuterated goethite (α-FeOOD)
The Journal of Physical Chemistry B
(2004)
108
6938
(doi: 10.1021/jp0486090)
Ab Initio Molecular Dynamics Study of Uracil in Aqueous Solution
Journal of Physical Chemistry B
(2004)
108
7458
(doi: 10.1021/jp049940m)
Solution-Processible Conjugated Electrophosphorescent Polymers
J Am Chem Soc
(2004)
126
7041
(doi: 10.1021/ja039445o)
Is an intermediate state populated on the folding pathway of ubiquitin?
FEBS Lett
(2004)
567
333
Electron correlation in a hard spherical external potential: Wigner molecule formation and hybridization - art. no. 201302
Physical Review B
(2004)
69
201302
(doi: 10.1103/physrevb.69.201302)
Linear screening of the electrostatic potential around spherical particles with non-spherical charge patterns
Molecular Physics
(2004)
102
857
(doi: 10.1080/00268970410001695688)
Special issue: In honour of Ruth Lynden-Bell
Molecular Physics
(2004)
102
827
(doi: 10.1080/00268970412331286918)
Some further applications of discrete path sampling to cluster isomerization
Molecular Physics
(2004)
102
891
(doi: 10.1080/00268970410001703363)
Transferable polarizabilities for the alkanes
Molecular Physics
(2004)
102
985
(doi: 10.1080/00268970410001723000)
Field-evaporation from first-principles
Molecular Physics
(2004)
102
1045
(doi: 10.1080/00268970410001727673)
Dynamics in crystals of rigid organic molecules: contrasting the phonon frequencies calculated by molecular dynamics with harmonic lattice dynamics for imidazole and 5-azauracil
Molecular Physics
(2004)
102
1067
(doi: 10.1080/00268970412331284208)
Ammonium cyanate: a DFT study of crystal structure, rotational barriers and vibrational spectrum
Molecular Physics
(2004)
102
869
(doi: 10.1080/00268970410001695679)
An addressable antibody nanoarray produced on a nanostructured surface
Journal of the American Chemical Society
(2004)
126
6508
(doi: 10.1021/ja0317426)
Rhodium Complexes of Sterically Demanding Diphosphonites: Coordination Chemistry and Catalysis
Organometallics
(2004)
23
3177
(doi: 10.1021/om0498899)
