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- Currently displaying 20361 - 20380 of 29614 publications
Beyond the Isotropic Atom Model in Crystal Structure Prediction of Rigid Molecules: Atomic Multipoles versus Point Charges
Crystal Growth & Design
(2005)
5
1023
(doi: 10.1021/cg049651n)
Inclusion of C60 into an adjustable porphyrin dimer generated by dynamic disulfide chemistry.
Chemical Communications
(2005)
1276
(doi: 10.1039/b417951j)
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)
A New, Low‐Temperature Polymorph of Ó‐SiAlON
Journal of the American Ceramic Society
(2005)
81
2188
Two-photon vibronic spectroscopy of allene at 7.0–10.5 eV: experiment and theory
Molecular Physics
(2005)
103
229
(doi: 10.1080/00268970512331317354)
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)
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.
Chem Commun (Camb)
(2005)
880
(doi: 10.1039/b416980h)
Comment on “A centroid molecular dynamics study of liquid para hydrogen and ortho deuterium” [J. Chem. Phys. 121, 6412 (2004)]
J Chem Phys
(2005)
122
057101
(doi: 10.1063/1.1839867)
CBED study of grain misorientations in AlGaN epilayers.
Ultramicroscopy
(2005)
103
23
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 (Weinheim an der Bergstrasse, Germany)
(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)
Simultaneous determination of protein structure and dynamics
Nature
(2005)
433
128
(doi: 10.1038/nature03199)
Preparation of pyridinyl/pyridazinyloxymethyl substituted Raf kinase inhibitors : WO 2005/002673 A1
(2005)
Real and reciprocal space structural correlations contributing to the first sharp diffraction peak in silica glass - art. no. 014202
Physical Review B Condensed Matter and Materials Physics
(2005)
71
014202
(doi: 10.1103/PhysRevB.71.014202)
Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithms.
Journal of chemical information and modeling
(2005)
45
422
(doi: 10.1021/ci0497531)
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)
Asymmetric cyclopropane synthesis via phosphine oxide mediated cascade reactions.
Organic & Biomolecular Chemistry
(2005)
3
630
(doi: 10.1039/b413500h)
