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  • Currently displaying 21381 - 21400 of 30236 publications
Author(s)
Publication title
Journal Name
Publication year
Comparison of kinetic Monte Carlo and molecular dynamics simulations of diffusion in a model glass former
TF Middleton, DJ Wales
Journal of Chemical Physics
(2004)
120
A quantitative evaluation of the effects of inhibitors of tubulin assembly on polymerization induced by discodermolide, epothilone B, and paclitaxel.
DA Dabydeen, GJ Florence, I Paterson, E Hamel
Cancer chemotherapy and pharmacology
(2004)
53
Evolving cascades: The Claisen rearrangement in the development of tandem sequences of three or more reactions
BL Gray, SV Ley
Chemtracts
(2004)
17
Rapid neutral–neutral reactions at low temperatures: a new network and first results for TMC‐1
IWM Smith, E Herbst, Q Chang
Monthly Notices of the Royal Astronomical Society
(2004)
350
(1R,2R)-1,3-bis(tert-butyidimethylsilyloxy)-2-(4-hydroxybutanamido)-1-(4-nitrophenyl)-propane
D Johansson, FB Larsen, AD Bond, P Nielsen
Acta Crystallographica Section E: Crystallographic Communications
(2004)
60
Sulphur dioxide fluxes from Papua New Guinea's volcanoes
AJS McGonigle, C Oppenheimer, VI Tsanev, S Saunders, K Mulina, S Tohui, J Bosco, J Nahou, J Kuduon, F Taranu
Geophysical Research Letters
(2004)
31
A Coarse‐Graining of Energy Landscape of Proteins — structural stability of the most stable states
K Hoshino, Y Matsunaga, M Miller, DJ Wales, T Komatsuzaki
AIP Conference Proceedings
(2004)
708
Thermodynamic characterisation of two transition states along parallel protein folding pathways
CF Wright, A Steward, J Clarke
Journal of molecular biology
(2004)
338
Self-poisoning of crystal nuclei in hard-rod liquids
T Schilling, D Frenkel
Journal of Physics: Condensed Matter
(2004)
16
A new method for the stereoselective synthesis of alpha- and beta-glycosylamines using the burgess reagent
KC Nicolaou, SA Snyder, AZ Nalbandian, DA Longbottom
Journal of the American Chemical Society
(2004)
126
The Radon transform: A new scheme for fast multidimensional NMR
E Kupče, R Freeman
Concepts in Magnetic Resonance Part A
(2004)
22A
Experimental measurement of noncovalent interactions between halogens and aromatic rings.
H Adams, SL Cockroft, C Guardigli, CA Hunter, KR Lawson, J Perkins, SE Spey, CJ Urch, R Ford
ChemBioChem
(2004)
5
What are the limits to the size of effective dynamic combinatorial libraries?
PT Corbett, S Otto, JKM Sanders
Org Lett
(2004)
6
[2-(N,N-Dimethylamino)-5-methylphenyl]-diphenylmethanol
LB Kranholm, AD Bond, CJ McKenzie
Acta Crystallographica Section E Structure Reports Online
(2004)
60
A PNA4 Quadruplex
Y Krishnan-Ghosh, E Stephens, S Balasubramanian
J Am Chem Soc
(2004)
126
A doubly nudged elastic band method for finding transition states (vol 120, pg 2082, 2004)
SA Trygubenko, DJ Wales
Journal of Chemical Physics
(2004)
120
Density-functional generalized-gradient and hybrid calculations of electromagnetic properties using Slater basis sets
MA Watson, NC Handy, AJ Cohen, T Helgaker
J Chem Phys
(2004)
120
Decarboxylative elimination of enol triflates as a general synthesis of acetylenes.
I Fleming, C Ramarao
Org Biomol Chem
(2004)
2
Probing local and long-range structure simultaneously: an in situ study of the high-temperature phase transition of alpha-AlF3.
PJ Chupas, S Chaudhuri, JC Hanson, X Qiu, PL Lee, SD Shastri, SJL Billinge, CP Grey
Journal of the American Chemical Society
(2004)
126
Thermodynamic/Kinetic Control in the Isomerization of the [{tBuNP(μ‐NtBu)}2]2− Ion
AD Bond, EL Doyle, F García, RA Kowenicki, D Moncrieff, M McPartlin, L Riera, AD Woods, DS Wright
Chemistry A European Journal
(2004)
10