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  • Currently displaying 20041 - 20060 of 29869 publications
Author(s)
Publication title
Journal Name
Publication year
Structure and dynamics of gold atomic chains grown on Cu(110): Experiment and theory
G Kyriakou, FJ Williams, MS Tikhov, A Wander, RM Lambert
Physical Review B Condensed Matter and Materials Physics
(2005)
72
Achieving Polymorphic and Stoichiometric Diversity in Cocrystal Formation:  Importance of Solid-State Grinding, Powder X-ray Structure Determination, and Seeding
T Yoneyama, I Yamakami, S Mine, N Saeki, A Yamaura, H Ozaki, M Nakazaki
No Shinkei Geka. Neurological Surgery
(2005)
32
MACiE: a database of enzyme reaction mechanisms
GL Holliday, GJ Bartlett, DE Almonacid, NM O'Boyle, P Murray-Rust, JM Thornton, JBO Mitchell
Bioinformatics
(2005)
21
Design and construction of a 2D metal organic framework with multiple cavities: a nonregular net with a paracyclophane that codes for multiply fused nodes.
GS Papaefstathiou, T Friscić, LR MacGillivray
Journal of the American Chemical Society
(2005)
127
Influence of vibrational energy flow on isomerization of flexible molecules: Incorporating non-Rice-Ramsperger-Kassel-Marcus kinetics in the simulation of dipeptide isomerization
JK Agbo, DM Leitner, DA Evans, DJ Wales
Journal of Chemical Physics
(2005)
123
A versatile organocatalyst for the asymmetric conjugate addition of nitroalkanes to enones.
CET Mitchell, SE Brenner, SV Ley
Chem Commun (Camb)
(2005)
Why isn't 'standard' heme good enough for c-type and d1-type cytochromes?
JWA Allen, PD Barker, O Daltrop, JM Stevens, EJ Tomlinson, N Sinha, Y Sambongi, SJ Ferguson
Dalton transactions (Cambridge, England : 2003)
(2005)
Organic crystals absorb hydrogen gas under mild conditions.
PK Thallapally, GO Lloyd, TB Wirsig, MW Bredenkamp, JL Atwood, LJ Barbour
Chemical communications (Cambridge, England)
(2005)
Prediction of atomic structure from sequence for double helical DNA oligomers.
J Farwer, MJ Packer, CA Hunter
Biopolymers
(2005)
81
Pathways for dissociative ethane chemisorption on Pt{110} (1×2) using density functional theory
AT Anghel, DJ Wales, SJ Jenkins, DA King
Chemical Physics Letters
(2005)
413
1,4,7,10-Tetrakis(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane
GO Lloyd, RC Luckay
Acta Crystallographica Section E Structure Reports Online
(2005)
61
A broadband cavity ringdown spectrometer for in-situ measurements of atmospheric trace gases
M Bitter, SM Ball, IM Povey, RL Jones
Atmospheric Chemistry and Physics
(2005)
5
A third blind test of crystal structure prediction.
GM Day, WDS Motherwell, HL Ammon, SXM Boerrigter, RG Della Valle, E Venuti, A Dzyabchenko, JD Dunitz, B Schweizer, BP van Eijck, P Erk, JC Facelli, VE Bazterra, MB Ferraro, DWM Hofmann, FJJ Leusen, C Liang, CC Pantelides, PG Karamertzanis, SL Price, TC Lewis, H Nowell, A Torrisi, HA Scheraga, YA Arnautova, MU Schmidt, P Verwer
Acta crystallographica. Section B, Structural science
(2005)
61
PNA forms an i-motif.
Y Krishnan-Ghosh, E Stephens, S Balasubramanian
Chem Commun (Camb)
(2005)
Transition state contact orders correlate with protein folding rates.
E Paci, K Lindorff-Larsen, CM Dobson, M Karplus, M Vendruscolo
Journal of Molecular Biology
(2005)
352
Sum frequency generation from Langmuir-Blodgett multilayer films on metal and dielectric substrates.
J Holman, PB Davies, T Nishida, S Ye, DJ Neivandt
J Phys Chem B
(2005)
109
First principles study of d→d excitations in bulk NiO
DS Middlemiss, WCM *
Molecular Physics
(2005)
103
Lattice sums and their derivatives for surface adlayers
AJS *
Molecular Physics
(2005)
103
Large-N_f behavior of the Yukawa model: analytic results
S Caracciolo, BM Mognetti, A Pelissetto
PoS LAT
(2005)
2005
Simulating rare events in equilibrium or non-equilibrium stochastic systems
RJ Allen, D Frenkel, PRT Wolde
(2005)