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  • Currently displaying 21081 - 21100 of 30425 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
Ab initio molecular dynamics simulation of the aqueous Ru2+/Ru3+ redox reaction: The Marcus perspective
J Blumberger, M Sprik
The journal of physical chemistry. B
(2005)
109
Homeotropic alignment on surface-initiated liquid crystalline polymer brushes
PJ Hamelinck, WTS Huck
Journal of Materials Chemistry
(2005)
15
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
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 and Design
(2005)
5
Inclusion of C60 into an adjustable porphyrin dimer generated by dynamic disulfide chemistry.
AL Kieran, SI Pascu, T Jarrosson, JKM Sanders
Chem Commun (Camb)
(2005)
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
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
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 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
Journal of Biological Chemistry
(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)
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
The 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)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
Influence of El Niño Southern Oscillation on stratosphere/troposphere exchange and the global tropospheric ozone budget
G Zeng, JA Pyle
Geophysical Research Letters
(2005)
32