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  • Currently displaying 20961 - 20980 of 30289 publications
Author(s)
Publication title
Journal Name
Publication year
Multiresolution quantum chemistry in multiwavelet bases: Time-dependent density functional theory with asymptotically corrected potentials in local density and generalized gradient approximations
TY *, RJH *, NC Handy
Molecular Physics
(2005)
103
Symmetry and density functionals
DJW *
Molecular Physics
(2005)
103
A New, Low‐Temperature Polymorph of Ó‐SiAlON
ME Bowden, GC Barris, IWM Brown, DA Jefferson
Journal of the American Ceramic Society
(2005)
81
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)
Comment on "A centroid molecular dynamics study of liquid para hydrogen and ortho deuterium" [J. Chem. Phys. 121, 6412 (2004)] -: art. no. 057101
TF Miller, DE Manolopoulos, PA Madden, M Konieczny, H Oberhofer
The 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)2CH3)(NH2(CH2)2CH3)3](ClO4)}n.
F Bramsen, AD Bond, CJ McKenzie, RG Hazell, B Moubaraki, KS Murray
Chemistry - A European Journal
(2005)
11
CBED study of grain misorientations in AlGaN epilayers
S-L Sahonta, D Cherns, R Liu, FA Ponce, H Amano, I Akasaki
Ultramicroscopy
(2005)
103
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
Simultaneous determination of protein structure and dynamics.
K Lindorff-Larsen, RB Best, MA Depristo, CM Dobson, M Vendruscolo
Nature
(2005)
433
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)
Real and reciprocal space structural correlations contributing to the first sharp diffraction peak in silica glass - art. no. 014202
T Uchino, JD Harrop, SN Taraskin, SR Elliott
Physical Review B
(2005)
71
Prediction of site-specific amino acid distributions and limits of divergent evolutionary changes in protein sequences (vol 22, pg 630, 2005)
M Porto, HE Roman, M Vendruscolo, U Bastolla
Molecular Biology and Evolution
(2005)
22
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
Journal of Chemical Information and Modeling
(2005)
45
Asymmetric cyclopropane synthesis via phosphine oxide mediated cascade reactions.
T Boesen, DJ Fox, W Galloway, DS Pedersen, CR Tyzack, S Warren
Organic & Biomolecular Chemistry
(2005)
3
The Total Synthesis of the Annonaceous Acetogenin 10‐Hydroxyasimicin
GL Nattrass, E Díez, MM McLachlan, DJ Dixon, SV Ley
Angewandte Chemie (International ed. in English)
(2005)
44
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
Hydrogen bonding preference of equatorial versus axial hydroxyl groups in pyran and cyclohexane rings in organic crystals
A Bonnet, J Chisholm, WDS Motherwell, W Jones
CrystEngComm
(2005)
7