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  • Currently displaying 22901 - 22920 of 29657 publications
Author(s)
Publication title
Journal Name
Publication year
A density functional theory study of carbon monoxide oxidation on the Cu3Pt(111) alloy surface: Comparison with the reactions on Pt(111) and Cu(111)
CJ Zhang, RJ Baxter, P Hu, A Alavi, M-H Lee
Journal of Chemical Physics
(2001)
115
Dissipative particle dynamics for interacting systems
I Pagonabarraga, D Frenkel
The Journal of Chemical Physics
(2001)
115
A microscopic basis for the global appearance of energy landscapes
DJ Wales
Science
(2001)
293
Theoretical evaluation of the origin of the regio- and stereoselectivity in the Diels-Alder reactions of dialkylvinylboranes: Studies on the reactions of vinylborane, dimethylvinylborane, and vinyl-9-BBN with trans-piperylene and isoprene
SC Pellegrinet, MA Silva, JM Goodman
Journal of the American Chemical Society
(2001)
123
Sulphate particles from subsonic aviation: Impact on upper tropospheric and lower stratospheric ozone
G Pitari, E Mancini, A Bregman, HL Rogers, JK Sundet, V Grewe, O Dessens
Physics and Chemistry of the Earth Part C Solar Terrestrial & Planetary Science
(2001)
26
Comment on "effect of potential energy distribution on the melting of clusters"
F Calvo, JPK Doye, DJ Wales
Physical Review Letters
(2001)
87
The branching ratio between reaction and relaxation in the removal of H2O from its |04⟩- vibrational state in collisions with H atoms
PW Barnes, IR Sims, IWM Smith, G Lendvay, GC Schatz
The Journal of Chemical Physics
(2001)
115
Comparison of the denaturant-induced unfolding of the bovine and human alpha-lactalbumin molten globules.
R Wijesinha-Bettoni, CM Dobson, C Redfield
Journal of Molecular Biology
(2001)
312
Total synthesis of the microtubule-stabilizing agent (-)-laulimalide.
I Paterson, C De Savi, M Tudge
Organic letters
(2001)
3
The lysozyme mechanism sorted - after 50 years
AJ Kirby
Nat Struct Biol
(2001)
8
Some advances in atmospheric chemistry
MX Wang, X Yang
PROG NAT SCI
(2001)
11
4,4′-Bi­pyridine-3,3′-di­carboxyl­ic acid dihydrate
AD Bond, N Feeder, JE Redman, JKM Sanders
Acta Crystallographica Section E Structure Reports Online
(2001)
57
“The Mechanism of Amyloid Formation and its Links to Human Disease and Biological Evolution”, in Self-Assembling Peptide Systems in Biology, Medicine and Engineering
CM Dobson
(2001)
2H MAS NMR studies of the manganese dioxide tunnel structures and hydroxides used as cathode materials in primary batteries
Y Paik, JP Osegovic, F Wang, W Bowden, CP Grey
J Am Chem Soc
(2001)
123
Synthesis and Structure of the Octanuclear Manganese(II) Cage [(η-Cp)Mn{2-NH(4,6-Me2pm)}·Mn{2-N(4,6-Me2Pm)}]4 (Cp = C5H5, pm = Pyrimidine)
CS Aluarez, AD Bond, EA Harron, RA Layfield, JA McAllister, CM Pask, JM Rawson, DS Wright
Organometallics
(2001)
20
Microporous Mg-Si-O and Al-Si-O materials derived from metal silsesquioxanes
N Maxim, PCMM Magusin, PJ Kooyman, JHMC van Wolput, RA van Santen, HCL Abbenhuis
Chemistry of Materials
(2001)
13
Kinetics of reactions of C2H radical with acetylene, O2, methylacetylene, and allene in a pulsed Laval nozzle apparatus at T=103K
AB Vakhtin, DE Heard, IWM Smith, SR Leone
Chemical Physics Letters
(2001)
344
Low temperature rate coefficients for the reactions of CN and C2H radicals with allene (CH2=C=CH2) and methyl acetylene (CH3C equivalent to CH)
D Carty, V Le Page, IR Sims, IWM Smith
Chemical Physics Letters
(2001)
344
Comment on "Effect of potential energy distribution on the melting of clusters"
F Calvo, JP Doye, DJ Wales
Phys Rev Lett
(2001)
8711
Electronic properties of hard and soft ions in solution:: Aqueous Na+ and Ag+ compared
R Vuilleumier, M Sprik
Journal of Chemical Physics
(2001)
115