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- Currently displaying 20801 - 20820 of 29893 publications
Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): Evaluation of performance
Journal of Chemical Information and Computer Sciences
(2004)
44
1708
(doi: 10.1021/ci0498719)
Formation of an interlocked quadruplex dimer by d(GGGT)
Journal of the American Chemical Society
(2004)
126
11009
(doi: 10.1021/ja049259y)
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)
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)
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-(NBu)-Bu-t)}(2)center dot LL](2) [LL = organic spacer]
Dalton Trans
(2004)
2904
(doi: 10.1039/B409071C)
Ordered Block-Copolymer Assembly Using Nanoimprint Lithography
Nano Letters
(2004)
4
1633
(doi: 10.1021/nl049209r)
5-tert-Butyl-2-(N,N-dimethylaminocarbonylthio)-isophthalaldehyde
Acta Crystallographica Section E: Crystallographic Communications
(2004)
60
O1525
(doi: 10.1107/s1600536804019233)
Conformational sampling and dynamics of membrane proteins from 10‐nanosecond computer simulations
Proteins Structure Function and Bioinformatics
(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
{3106-3118}
(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 Edition
(2004)
43
4190
(doi: 10.1002/anie.200460271)
Car Exhaust Catalysis from First Principles: Selective NO Reduction under Excess O2 Conditions on Ir
J Am Chem Soc
(2004)
126
10746
(doi: 10.1021/ja0481833)
Sulfonium Ylide Epoxidation Reactions: Methylene Transfer.
ChemInform
(2004)
35
no
(doi: 10.1002/chin.200435027)
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)
Crystal nucleation of colloidal suspensions under shear - art. no. 068303
Phys Rev Lett
(2004)
93
1
Liquid water from first principles: Investigation of different sampling approaches
The Journal of Physical Chemistry B
(2004)
108
12990
(doi: 10.1021/jp047788i)
A nanoscale dendrimer-based Fe 24 cluster: synthesis and molecular self-assembly
Chem Commun (Camb)
(2004)
10
2122
(doi: 10.1039/b407717b)
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)
