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- Currently displaying 21101 - 21120 of 29854 publications
The performance of hybrid density functionals in solid state chemistry
Structure and Bonding
(2004)
113
171
(doi: 10.1007/b97944)
Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT)
2004 IEEE INTERNATIONAL CONFERENCE ON SYSTEMS, MAN & CYBERNETICS, VOLS 1-7
(2004)
5
4553
(doi: 10.1109/icsmc.2004.1401249)
Hsp90: from structure to phenotype.
Nature Structural Molecular Biology
(2004)
11
1152
(doi: 10.1038/nsmb1204-1152)
Using simulations to study vibrational relaxation of molecules in liquids
NOVEL APPROACHES TO THE STRUCTURE AND DYNAMICS OF LIQUIDS: EXPERIMENTS, THEORIES AND SIMULATIONS
(2004)
323
Conformational dynamics of OmpA: MD simulations of a bacterial outer membrane protein
BIOPHYSICAL JOURNAL
(2004)
86
257A
Highlights from the 39th ESF/EUCHEM Conference on Stereochemistry, Bürgenstock, Switzerland, April 2004
Chem. Commun.
(2004)
10
2365
(doi: 10.1039/b409495f)
Lanthanide compounds containing a benzo-15-crown-5 derivatised [60]fullerene and the related [Tb(H2O)3(NO3)2(acac)]·C14H20O5supramolecular adduct
New Journal of Chemistry
(2004)
28
1352
(doi: 10.1039/b410068a)
Ru(ii) and Rh(iii) porphyrin complexes of primary phosphine-substituted porphyrinsDedicated to the memory of Bhaskar G. Maiya.
New Journal of Chemistry
(2004)
28
1066
(doi: 10.1039/b402083a)
Development of a method for the measurement of long-range C-13-H-1 coupling constants from HMBC spectra
Journal of Magnetic Resonance
(2004)
166
53
(doi: 10.1016/j.jmr.2003.09.011)
Photocatalytic properties of TiO2 modified with gold nanoparticles in the degradation of 4-chlorophenol in aqueous solution
Catalysis Letters
(2004)
92
41
Solid-state NMR study of the anionic conductor Ca-doped Y2Ti2O7
Dalton transactions (Cambridge, England : 2003)
(2004)
3048
(doi: 10.1039/b402068p)
Are Hartree-Fock atoms too small or too large?
Phys. Chem. Chem. Phys.
(2004)
6
2928
(doi: 10.1039/b402989p)
Spin-polarised surfaces: Current state of Density Functional Theory investigations
(2004)
15
261
Relaxation to a perpetually pulsating equilibrium
Journal of Statistical Physics
(2004)
117
199
The impact of Arctic ozone depletion on northern middle latitudes: Interannual variability and dynamical control
Journal of Atmospheric Chemistry
(2004)
47
25
Nanostructured polymers
International Journal of Nanotechnology
(2004)
1
119
(doi: 10.1504/IJNT.2004.003722)
Some further applications of discrete path sampling to cluster isomerization
Mol. Phys.
(2004)
102
891-908
Diode laser spectroscopy of 10B16O and 11B16O boron monoxide (X)
Journal of Molecular Spectroscopy
(2004)
223
181
(doi: 10.1016/j.jms.2003.11.002)
Quantum Dynamics at Conical Intersections
(2004)