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  • Currently displaying 21421 - 21440 of 30260 publications
Author(s)
Publication title
Journal Name
Publication year
Density-functional generalized-gradient and hybrid calculations of electromagnetic properties using Slater basis sets.
MA Watson, NC Handy, AJ Cohen, T Helgaker
The Journal of Chemical Physics
(2004)
120
Probing Local and Long-Range Structure Simultaneously: An in Situ Study of the High-Temperature Phase Transition of α-AIF3
PJ Chupas, S Chaudhuri, JC Hanson, X Qiu, PL Lee, SD Shastri, SJL Billinge, CP Grey
J Am Chem Soc
(2004)
126
Decarboxylative elimination of enol triflates as a general synthesis of acetylenes
I Fleming, C Ramarao
Org. Biomol. Chem.
(2004)
2
Thermodynamic/kinetic control in the isomerization of the [{tBuNP(mu-NtBu)}(2)](2-) ion
AD Bond, EL Doyle, F García, RA Kowenicki, D Moncrieff, M McPartlin, L Riera, AD Woods, DS Wright
Chemistry
(2004)
10
Electrochemical and structural properties of xLi2M′O 3·(1-x)LiMn0.5Ni0.5O2 electrodes for lithium batteries (M′ = Ti, Mn, Zr; O ≤ x ≤ 0.3)
J-S Kim, CS Johnson, JT Vaughey, MM Thackeray, SA Hackney, W Yoon, CP Grey
Chemistry of Materials
(2004)
16
Demonstration of a low-energy on-pathway intermediate in a fast-folding protein by kinetics, protein engineering, and simulation
P Jemth, S Gianni, R Day, B Li, CM Johnson, V Daggett, AR Fersht
Proc Natl Acad Sci U S A
(2004)
101
Transition states for protein folding have native topologies despite high structural variability.
K Lindorff-Larsen, M Vendruscolo, E Paci, CM Dobson
Nature Structural & Molecular Biology
(2004)
11
Exploring sequence/folding space: Folding studies on multiple hydrophobic core mutants of ubiquitin
CG Benítez-Cardoza, K Stott, M Hirshberg, HM Went, DN Woolfson, SE Jackson
Biochemistry
(2004)
43
Diethyl 2,5-bis(triisopropylsilylethynyl)terephthalate
B Nicolaisen, AD Bond, MB Nielsen
Acta Crystallographica Section E Structure Reports Online
(2004)
60
Local and global cooperativity in the human alpha-lactalbumin molten globule.
CM Quezada, BA Schulman, JJ Froggatt, CM Dobson, C Redfield
J Mol Biol
(2004)
338
The effects of ageing a bimetallic catalyst under industrial conditions: a study of fresh and used Pd-Au-K/silica vinyl acetate synthesis catalysts
N Macleod, JM Keel, RM Lambert
Applied Catalysis A General
(2004)
261
Targeting the single-strand G-rich overhang of telomeres with PNA inhibits cell growth and induces apoptosis of human immortal cells.
MA Shammas, X Liu, G Gavory, KD Raney, S Balasubramanian, RJ Shmookler Reis
Exp Cell Res
(2004)
295
Theory of methane dehydrogenation on Pt{110}(1x2). Part 1: Chemisorption of CHx (x=0-3)
MA Petersen, SJ Jenkins, DA King
Journal of Physical Chemistry B
(2004)
108
Broadband femtosecond sum-frequency spectroscopy of co on ru{101̄0} in the frequency and time domains
JPR Symonds, H Arnolds, VL Zhang, K Fukutani, DA King
The Journal of chemical physics
(2004)
120
Theory of methane dehydrogenation on Pt{110}(1x2). Part II: Microscopic reaction pathways for CHx→CHx-1(x=1-3)
MA Petersen, SJ Jenkins, DA King
The Journal of Physical Chemistry B
(2004)
108
Rotational motion of alkanes on zeolite ZK-5 studied from 1H-13C NMR cross-relaxation
VE Zorine, PCMM Magusin, RA van Santen
The Journal of Physical Chemistry B
(2004)
108
Phase diagram of the adhesive hard sphere fluid
MA Miller, D Frenkel
(2004)
Discrete solution of the electrokinetic equations
F Capuani, I Pagonabarraga, D Frenkel
(2004)
Three-dimensional structures of translating ribosomes by cryo-EM
RJC Gilbert, P Fucini, S Connell, SD Fuller, KH Nierhaus, CV Robinson, CM Dobson, DI Stuart
Mol Cell
(2004)
14
Structural Motifs in Secondary Ammonium Halides: Ring‐Stacking and Ring‐Laddering in the Organic Solid State
AD Bond
Chemistry (Weinheim an der Bergstrasse, Germany)
(2004)
10