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- Currently displaying 20881 - 20900 of 29854 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)
Femtosecond Pump/Probe Spectroscopy of CO on Ru{101̄0} from Experimental and Theoretical Perspectives †
The Journal of Physical Chemistry B
(2004)
108
14311
(doi: 10.1021/jp049679+)
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 synthesis.
Organic and 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)
Is an intermediate state populated on the folding pathway of ubiquitin?
FEBS Lett
(2004)
567
333
Solution-Processible Conjugated Electrophosphorescent Polymers
J Am Chem Soc
(2004)
126
7041
(doi: 10.1021/ja039445o)
Electron correlation in a hard spherical external potential: Wigner molecule formation and hybridization - art. no. 201302
Physical Review B Condensed Matter and Materials Physics
(2004)
69
201302
(doi: 10.1103/physrevb.69.201302)
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 finidazole 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)
Linear screening of the electrostatic potential around spherical particles with non-spherical charge patterns
Molecular Physics
(2004)
102
857
(doi: 10.1080/00268970410001695688)
Some further applications of discrete path sampling to cluster isomerization
Molecular Physics
(2004)
102
891
(doi: 10.1080/00268970410001703363)
An Addressable Antibody Nanoarray Produced on a Nanostructured Surface
J Am Chem Soc
(2004)
126
6508
(doi: 10.1021/ja0317426)
