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- Currently displaying 22101 - 22120 of 31108 publications
Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): evaluation of performance.
Journal of Chemical Information and Modeling
(2004)
44
1708
(doi: 10.1021/ci0498719)
Formation of an interlocked quadruplex dimer by d(GGGT)
J Am Chem Soc
(2004)
126
11009
(doi: 10.1021/ja049259y)
A FORTRAN-90 Low-Energy Electron Diffraction program (LEED90 v1.1)
Computer Physics Communications
(2004)
161
151
(doi: 10.1016/j.cpc.2004.05.002)
Molecular t-matrices for Low-Energy Electron Diffraction (TMOL v1.1)
Computer Physics Communications
(2004)
161
166
(doi: 10.1016/j.cpc.2004.05.003)
Driving Forces for Self-Organized Coadsorption: C6H6/2O and C6H6/2CO on Ni{111}
J Am Chem Soc
(2004)
126
10962
(doi: 10.1021/ja048589y)
The formation of dimeric phosph(III)azane macrocycles [[P(mu-NtBu)]2.LL]2 [LL = organic spacer].
Dalton transactions (Cambridge, England : 2003)
(2004)
2904
(doi: 10.1039/b409071c)
5-tert-Butyl-2-(N,N-dimethylaminocarbonylthio)-isophthalaldehyde
Acta Crystallographica Section E Structure Reports Online
(2004)
60
O1525
(doi: 10.1107/s1600536804019233)
Ordered block-copolymer assembly using nanoimprint lithography
Nano Letters
(2004)
4
1633
(doi: 10.1021/nl049209r)
Conformational sampling and dynamics of membrane proteins from 10‐nanosecond computer simulations
Proteins Structure Function and Genetics
(2004)
57
783
(doi: 10.1002/prot.20257)
Hartree-Fock exchange in time dependent density functional theory: application to charge transfer excitations in solvated molecular systems
Chemical Physics Letters
(2004)
394
141
(doi: 10.1016/j.cplett.2004.06.121)
Combined neutron diffraction, NMR, and electrochemical investigation of the layered-to-spinel transformation in LiMnO2
Chemistry of Materials
(2004)
16
3106
(doi: 10.1021/cm034964b)
A concise total synthesis of (+)-okaramine C.
Organic & Biomolecular Chemistry
(2004)
2
2415
(doi: 10.1039/b410180d)
Forced Peptide Synthesis in Nanoscale Confinement under Elastomeric Stamps
Angewandte Chemie (International ed. in English)
(2004)
43
4190
(doi: 10.1002/anie.200460271)
Sulfonium Ylide Epoxidation Reactions: Methylene Transfer.
ChemInform
(2004)
35
no
(doi: 10.1002/chin.200435027)
Crystal nucleation of colloidal suspensions under shear
Phys Rev Lett
(2004)
93
068303
Rhodium(I) and palladium(II) complexes with the Schiff base 2,2 ′-bis((4S)-4-benzyl-2-oxazoline)
Inorganica Chimica Acta
(2004)
357
3351
(doi: 10.1016/j.ica.2004.03.034)
The steady-state of heterogeneous catalysis, studied by first-principles statistical mechanics
(2004)
Liquid Water from First Principles: Investigation of Different Sampling Approaches
The Journal of Physical Chemistry B
(2004)
108
12990
(doi: 10.1021/jp047788i)
Synthesis and acid catalyzed hydrolysis of B2,5 type conformationally constrained glucopyranosides: incorporation into a cellobiose analogue
Tetrahedron
(2004)
60
6813
(doi: 10.1016/j.tet.2004.06.009)
Synthesis of patterned polymer brushes from flexible polymeric films
European Polymer Journal
(2004)
40
1599
