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  • Currently displaying 22881 - 22900 of 29948 publications
Author(s)
Publication title
Journal Name
Publication year
Diatomics-in-Molecules Potentials Incorporating ab initio\/ Data: Application to Ionic, Rydberg-Excited, and Molecule-Doped Rare Gas Clusters
FY Naumkin, DJ Wales
Computer Physics Communications
(2002)
145
Syntheses and structures of the cubanes [PhOSb(μ3-NCy)]4 and [pyOBi(μ3-NCy)]4 (Cy = cyclohexyl, py=2-pyridyl)
JF Bickley, AD Bond, F García, K Jantos, GT Lawson, M McPartlin, A Steiner, DS Wright
Dalton Transactions
(2002)
Self-assembly of porphyrin arrays
L Baldini, CA Hunterf
Advances in Inorganic Chemistry
(2002)
53
Designing neutral coordination networks with the aid of hydrogen bond mimicry using silver(I) carboxylates
L Brammer, MD Burgard, MD Eddleston, CS Rodger, NP Rath, H Adams
Crystengcomm
(2002)
4
Modular assembly of porphyrin sandwiches as potential hosts
CA Hunter, R Tregonning
Tetrahedron
(2002)
58
What can classical simulators learn from ab initio simulations?
L Delle Site, RM Lyndeb-Bell, A Alavi
Journal of Molecular Liquids
(2002)
98
17 O MQMAS NMR studies of Na-A and Ca-A
JE Readman, N Kim, M Ziliox, CP Grey
Chemical Communications
(2002)
Conformational analysis of a photo-controlled peptide
DC Burns, DG Flint, J Kumita, J Zhang, OS Smart, A Woolley
BIOPHYSICAL JOURNAL
(2002)
82
What can atomic force microscopy tell us about protein folding?
RB Best, J Clarke
Chemical communications (Cambridge, England)
(2002)
Design of luminescent polymers for leds
AB Holmes, AD Bond, JE Davies, C Fischmeister, J Frey, U Hennecke, J Li, Y Ma, RE Martin, ID Rees, K Robinson, T Sano, F Cacialli, SF Lim, RH Friend
Materials Research Society Symposium Proceedings
(2002)
708
Photo-control of peptides and coiled-coils by a modified azobenzene conformational switch
J Kumita, A Woolley, DG Flint, OS Smart
BIOPHYSICAL JOURNAL
(2002)
82
Photo-control of peptide and protein conformation: Development of force field parameters for modified azobenzene conformational switches
DG Flint, J Kumita, A Woolley, OS Smart
BIOPHYSICAL JOURNAL
(2002)
82
Time and length scales in ab initio molecular dynamics
U Röthlisberger, M Sprik, J Hutter
BRIDGING TIME SCALES: MOLECULAR SIMULATIONS FOR THE NEXT DECADE
(2002)
605
Towards the chemical Semantic Web
P Murray-Rust, HS Rzepa
PROCEEDINGS OF THE 2002 INTERNATIONAL CHEMICAL INFORMATION CONFERENCE
(2002)
Energy landscapes: An overview
DJ Wales
Materials Research Society Symposium Proceedings
(2002)
700
Holometer-measurement apparatus for estimating the dynamic range of chalcogenide glasses as holographic recording media
JM González-Leal, P Krecmer, J Prokop, SR Elliott
XIIITH INTERNATIONAL SYMPOSIUM ON NON-OXIDE GLASSES AND NEW OPTICAL GLASSES PTS 1 AND 2
(2002)
H2-D2 exchange and migration of Ga in H-ZSM5 and H-MOR zeolites
M Garcia-Sanchez, P Magusin, EJM Hensen, RA van Santen
IMPACT OF ZEOLITES AND OTHER POROUS MATERIALS ON THE NEW TECHNOLOGIES AT THE BEGINNING OF THE NEW MILLENNIUM, PTS A AND B
(2002)
142
Controlling crystal architecture in molecular solids: the supramolecular approach
W Jones, AD Bond
(2002)
Oxygen scavenging by lithium zincates: the synthesis, structural characterisation and derivatisation of [Ph(2-C5H4N)N](2)ZnRLi center dot nthf (R = Bu-t, Bu-n; n = 1, 2)
SR Boss, R Haigh, DJ Linton, AEH Wheatley
Dalton Transactions
(2002)
Syntheses and magnetic properties of hexanuclear [Cp2Mn3(L1)4]2 and octanuclear [Mn8(L2)124-O)2] (L1=2-HNC5H5N, L2=2-NH-3-Br-5-MeC5H3N, Cp = C5H5)
CS Alvarez, AD Bond, D Cave, MEG Mosquera, EA Harron, RA Layfield, M McPartlin, JM Rawson, PT Wood, DS Wright
Chem. Commun.
(2002)
8