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  • Currently displaying 20441 - 20460 of 29877 publications
Author(s)
Publication title
Journal Name
Publication year
Template-Controlled Synthesis in the Solid-State
LR MacGillivray, GS Papaefstathiou, T Friščić, DB Varshney, TD Hamilton
TOP CURR CHEM
(2005)
248
Giant contrast reversal in scanning tunnelling microscopy of zincporphyrin monolayers on graphite
Q Guo, J Yin, RE Palmer, N Bampos, JKM Sanders
Chemical Physics Letters
(2005)
402
Ab initio molecular dynamics simulation of the aqueous Ru 2+/Ru3+ redox reaction: The marcus perspective
J Blumberger, M Sprik
The journal of physical chemistry. B
(2005)
109
An evaluation of the performane of chemistry transport models - Part 2: Detailed comparison with two selected campaigns
D Brunner, J Staehelin, HL Rogers, MO Köhler, JA Pyle, DA Hauglustaine, L Jourdain, TK Berntsen, M Gauss, ISA Isaksen, E Meijer, P van Velthoven, G Pitari, E Mancini, V Grewe, R Sausen
Atmos. Chem. Phys.
(2005)
5
Numerical Simulation of Crystal Nucleation in Colloids
S Auer, D Frenkel
Advances in Polymer Science
(2005)
173
Stereocontrolled Total Synthesis of (−)‐Aurisides A and B
I Paterson, GJ Florence, AC Heimann, AC Mackay
Angewandte Chemie International Edition
(2005)
44
Homeotropic alignment on surface-initiated liquid crystalline polymer brushes
PJ Hamelinck, WTS Huck
Journal of Materials Chemistry
(2005)
15
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
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
A new, low-temperature polymorph of O′-SiAlON
ME Bowden, GC Barris, IWM Brown, DA Jefferson
Journal of the American Ceramic Society
(2005)
81
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
Symmetry and density functionals
DJW *
Molecular Physics
(2005)
103
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
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
(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
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
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