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- Currently displaying 20041 - 20060 of 29458 publications
Stereocontrolled Total Synthesis of (−)‐Aurisides A and B
– Angewandte Chemie International Edition
(2005)
44,
1130
(doi: 10.1002/anie.200462267)
Multiresolution quantum chemistry in multiwavelet bases: Time-dependent density functional theory with asymptotically corrected potentials in local density and generalized gradient approximations
– Molecular Physics
(2005)
103,
413
(doi: 10.1080/00268970412331319236)
Two-photon vibronic spectroscopy of allene at 7.0-10.5 eV: Experiment and theory
– Molecular Physics
(2005)
103,
229
(doi: 10.1080/00268970512331317354)
Symmetry and density functionals
– Molecular Physics
(2005)
103,
269
(doi: 10.1080/00268970512331317318)
Beyond the Isotropic Atom Model in Crystal Structure Prediction of Rigid Molecules: Atomic Multipoles versus Point Charges
– Crystal Growth and Design
(2005)
5,
1023
(doi: 10.1021/cg049651n)
Inclusion of C-60 into an adjustable porphyrin dimer generated by dynamic disulfide chemistry
– Chemical communications (Cambridge, England)
(2005)
1276
(doi: 10.1039/b417951j)
A New, Low‐Temperature Polymorph of Ó‐SiAlON
– Journal of the American Ceramic Society
(2005)
81,
2188
A theory of vibrational frequency shifts revisited: application to dimers of LiH with the inert gases He, Ne, Ar and Kr
– Molecular Physics
(2005)
103,
257
(doi: 10.1080/00268970512331317336)
Strong in vivo maturation compensates for structurally restricted H3 loops in antibody repertoires.
– Journal of Biological Chemistry
(2005)
280,
14114
(doi: 10.1074/jbc.M413011200)
Selective polymorph transformation via solvent-drop grinding
– Chemical Communications
(2005)
880
(doi: 10.1039/b416980h)
CBED study of grain misorientations in AlGaN epilayers.
– Ultramicroscopy
(2005)
103,
23
Comment on "a centroid molecular dynamics study of liquid para hydrogen and ortho deuterium" [J. Chem. Phys. 121, 6412 (2004)]
– Journal of Chemical Physics
(2005)
122,
057101
(doi: 10.1063/1.1839867)
Self-assembly of the octanuclear cluster [Cu8(OH)10(NH2(CH2)2CH3)12]6+ and the one-dimensional N-propylcarbamate-linked coordination polymer {[Cu(O2CNH(CH2)2CH3)(NH2(CH2)2CH3)3](ClO4)}n.
– Chemistry A European Journal
(2005)
11,
825
(doi: 10.1002/chem.200400555)
Cover Picture: Self‐Assembly of the Octanuclear Cluster [Cu8(OH)10(NH2(CH2)2CH3)12]6+ and the One‐Dimensional N‐Propylcarbamate‐Linked Coordination Polymer {[Cu(O2CNH(CH2)2CH3)(NH2(CH2)2CH3)3](ClO4)}n (Chem. Eur. J. 3/2005)
– Chemistry - A European Journal
(2005)
11,
795
(doi: 10.1002/chem.200590008)
Influence of El Niño Southern Oscillation on stratosphere/troposphere exchange and the global tropospheric ozone budget
– Geophysical Research Letters
(2005)
32,
1
(doi: 10.1029/2004GL021353)
Preparation of pyridinyl/pyridazinyloxymethyl substituted Raf kinase inhibitors : WO 2005/002673 A1
(2005)
Simultaneous determination of protein structure and dynamics
– Nature
(2005)
433,
128
(doi: 10.1038/nature03199)
Real and reciprocal space structural correlations contributing to the first sharp diffraction peak in silica glass
– Physical Review B Condensed Matter and Materials Physics
(2005)
71,
014202
(doi: 10.1103/PhysRevB.71.014202)
Identification of 3-(Acylamino)azepan-2-ones as Stable Broad-Spectrum Chemokine Inhibitors Resistant to Metabolism in Vivo
– Journal of Medicinal Chemistry
(2005)
48,
867
(doi: 10.1021/jm049365a)
Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithms.
– J Chem Inf Model
(2005)
45,
422
(doi: 10.1021/ci0497531)