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- Currently displaying 20741 - 20760 of 29836 publications
Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): Evaluation of performance
– J Chem Inf Comput Sci
(2004)
44,
1708
(doi: 10.1021/ci0498719)
Floating liquid phase in sedimenting colloid-polymer mixtures - art. no. 088303
– Phys Rev Lett
(2004)
93,
088303
Formation of an interlocked quadruplex dimer by d(GGGT).
– J Am Chem Soc
(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)
5-tert-Butyl-2-(N,N-dimethylaminocarbonylthio)isophthalaldehyde
– Acta Crystallographica Section E Structure Reports Online
(2004)
60,
o1525
(doi: 10.1107/s1600536804019233)
The formation of dimeric phosph(III) azane macrocycles [{P(mu-(NBu)-Bu-t)}(2)center dot LL](2) [LL = organic spacer]
– Dalton Transactions
(2004)
2904
(doi: 10.1039/B409071C)
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,
{3106-3118}
(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
– Physical review letters
(2004)
93,
068303
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 Fe24 cluster: synthesis and molecular self-assembly.
– Chemical Communications
(2004)
10,
2122
(doi: 10.1039/b407717b)