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- Currently displaying 20381 - 20400 of 29636 publications
Numerical Simulation of Crystal Nucleation in Colloids
Advances in Polymer Science
(2005)
173
149
(doi: 10.1007/b99429)
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)
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)
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 O '-SiAlON
Journal of the American Ceramic Society
(2005)
81
2188
Strong in vivo maturation compensates for structurally restricted H3 loops in antibody repertoires
The 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)
Comment on “A centroid molecular dynamics study of liquid para hydrogen and ortho deuterium” [J. Chem. Phys. 121, 6412 (2004)]
The Journal of Chemical Physics
(2005)
122
57101
(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)
CBED study of grain misorientations in AlGaN epilayers
Ultramicroscopy
(2005)
103
23
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
Physical Review B
(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/ci049753l)
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)