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  • Currently displaying 20481 - 20500 of 29910 publications
Author(s)
Publication title
Journal Name
Publication year
Two-photon vibronic spectroscopy of allene at 7.0–10.5 eV: experiment and theory
J-C Shieh, J-C Wu, R Li, J-L Chang, Y-JL **, D-WL **, M Hayashi, AM Mebel, NC Handy, Y-TC *
Molecular Physics
(2005)
103
Beyond the isotropic atom model in crystal structure prediction of rigid molecules: Atomic multipoles versus point charges
GM Day, WDS Motherwell, W Jones
Crystal Growth & Design
(2005)
5
A new, low-temperature polymorph of O′-SiAlON
ME Bowden, GC Barris, IWM Brown, DA Jefferson
Journal of the American Ceramic Society
(2005)
81
A theory of vibrational frequency shifts revisited: Application to dimers of LiH with the inert gases He, Ne, Ar and Kr
SACM *, AD Buckingham
Molecular Physics
(2005)
103
Symmetry and density functionals
DJW *
Molecular Physics
(2005)
103
Inclusion of C60 into an adjustable porphyrin dimer generated by dynamic disulfide chemistry.
AL Kieran, SI Pascu, T Jarrosson, JKM Sanders
Chemical Communications
(2005)
Strong in vivo maturation compensates for structurally restricted H3 loops in antibody repertoires.
E De Genst, K Silence, MA Ghahroudi, K Decanniere, R Loris, J Kinne, L Wyns, S Muyldermans
J Biol Chem
(2005)
280
Selective polymorph transformation via solvent-drop grinding.
AV Trask, N Shan, WDS Motherwell, W Jones, S Feng, RBH Tan, KJ Carpenter
Chemical communications (Cambridge, England)
(2005)
CBED study of grain misorientations in AlGaN epilayers
S-L Sahonta, D Cherns, R Liu, FA Ponce, H Amano, I Akasaki
Ultramicroscopy
(2005)
103
Comment on “A centroid molecular dynamics study of liquid para hydrogen and ortho deuterium” [J. Chem. Phys. 121, 6412 (2004)]
TF Miller, DE Manolopoulos, PA Madden, M Konieczny, H Oberhofer
Journal of Chemical Physics
(2005)
122
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)2CH 3)(NH2(CH2)2CH3) 3]ClO4)}n
F Bramsen, AD Bond, CJ McKenzie, RG Hazell, B Moubaraki, KS Murray
Chemistry - A European Journal
(2005)
11
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)
F Bramsen, AD Bond, CJ McKenzie, RG Hazell, B Moubaraki, KS Murray
Chemistry – A European Journal
(2005)
11
Influence of El Nino Southern Oscillation on stratosphere/troposphere exchange and the global tropospheric ozone budget
G Zeng, JA Pyle
Geophysical Research Letters
(2005)
32
Preparation of pyridinyl/pyridazinyloxymethyl substituted Raf kinase inhibitors : WO 2005/002673 A1
AL Gill, SJ Woodhead, AJ Woodhead, M Frederickson, A Padova, RP Apaya
(2005)
Simultaneous determination of protein structure and dynamics.
K Lindorff-Larsen, RB Best, MA Depristo, CM Dobson, M Vendruscolo
Nature
(2005)
433
Real and reciprocal space structural correlations contributing to the first sharp diffraction peak in silica glass
T Uchino, JD Harrop, SN Taraskin, SR Elliott
Physical Review B
(2005)
71
Identification of 3-(Acylamino)azepan-2-ones as Stable Broad-Spectrum Chemokine Inhibitors Resistant to Metabolism in Vivo
DJ Fox, J Reckless, SM Wilbert, I Greig, S Warren, DJ Grainger
Journal of Medicinal Chemistry
(2005)
48
Comparative Analysis of Protein-Bound Ligand Conformations with Respect to Catalyst's Conformational Space Subsampling Algorithms
J Kirchmair, C Laggner, G Wolber, T Langer
J Chem Inf Model
(2005)
45
Prediction of Site-Specific Amino Acid Distributions and Limits of Divergent Evolutionary Changes in Protein Sequences
M Porto, HE Roman, M Vendruscolo, U Bastolla
Molecular Biology and Evolution
(2005)
22
Experimental Data Checker: Better Information for Organic Chemists
SE Adams, JM Goodman, RJ Kidd, AD McNaught, P Murray‐Rust, FR Norton, JA Townsend, CA Waudby
ChemInform
(2005)
36