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- Currently displaying 19001 - 19020 of 27826 publications
Phi-Value analysis and the nature of protein-folding transition states
– Proceedings of the National Academy of Sciences of the United States of America
(2004)
101,
7976
(doi: 10.1073/pnas.0402684101)
Growth of aligned carbon nanofibres over large areas using colloidal catalysts at low temperatures
– Chemical Communications
(2004)
4,
1416
(doi: 10.1039/b401785d)
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)
Femtosecond pump/probe spectroscopy of CO on Ru{1010} from experimental and theoretical perspectives
– The Journal of Physical Chemistry B
(2004)
108,
14311
(doi: 10.1021/jp049679+)
Effect of metastable liquid-liquid demixing on the morphology of nucleated polymer crystals
– Macromolecules
(2004)
37,
4336
(doi: 10.1021/ma049581t)
Complete functionalisation of small and large diameter bromopolystyrene beads; applications for solid-supported reagents, scavengers and diversity-oriented synthesis.
– 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)
Electron correlation in a hard spherical external potential: Wigner molecule formation and hybridization
– Physical Review B
(2004)
69,
201302
(doi: 10.1103/physrevb.69.201302)
Ab Initio Molecular Dynamics Study of Uracil in Aqueous Solution
– The Journal of Physical Chemistry B
(2004)
108,
7458
(doi: 10.1021/jp049940m)
Is an intermediate state populated on the folding pathway of ubiquitin?
– FEBS letters
(2004)
567,
333
Solution-processible conjugated electrophosphorescent polymers
– J Am Chem Soc
(2004)
126,
7041
(doi: 10.1021/ja039445o)
Transferable polarizabilities for the alkanes
– Molecular Physics
(2004)
102,
985
(doi: 10.1080/00268970410001723000)
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)
Field-evaporation from first-principles
– Molecular Physics
(2004)
102,
1045
(doi: 10.1080/00268970410001727673)
Linear screening of the electrostatic potential around spherical particles with non-spherical charge patterns
– Molecular Physics
(2004)
102,
857
(doi: 10.1080/00268970410001695688)
Ammonium cyanate: A DFT study of crystal structure, rotational barriers and vibrational spectrum
– Molecular Physics
(2004)
102,
869
(doi: 10.1080/00268970410001695679)