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- Currently displaying 18961 - 18980 of 27901 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)
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)
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)
The formation of dimeric phosph(iii)azane macrocycles [{P(µ-NtBu)}2·LL]2[LL = organic spacer]
– Dalton Trans
(2004)
2904
(doi: 10.1039/B409071C)
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
(doi: 10.1021/cm034964b)
Forced peptide synthesis in nanoscale confinement under elastomeric stamps
– Angewandte Chemie International Edition
(2004)
43,
4190
(doi: 10.1002/anie.200460271)
Coupling of the human A1 adenosine receptor to different heterotrimeric G proteins: evidence for agonist‐specific G protein activation
– British journal of pharmacology
(2004)
143,
705
(doi: 10.1038/sj.bjp.0705925)
A concise total synthesis of (+)-okaramine C
– Org Biomol Chem
(2004)
2,
2415
(doi: 10.1039/b410180d)
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
– Phys Rev Lett
(2004)
93,
068303
Liquid Water from First Principles: Investigation of Different Sampling Approaches
– 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)