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  • Currently displaying 20401 - 20420 of 30233 publications
Author(s)
Publication title
Journal Name
Publication year
Organic crystals absorb hydrogen gas under mild conditions.
PK Thallapally, GO Lloyd, TB Wirsig, MW Bredenkamp, JL Atwood, LJ Barbour
Chem Commun (Camb)
(2005)
Pathways for dissociative ethane chemisorption on Pt{110} (1x2) using density functional theory
AT Anghel, DJ Wales, SJ Jenkins, DA King
Chemical Physics Letters
(2005)
413
Prediction of atomic structure from sequence for double helical DNA oligomers.
J Farwer, MJ Packer, CA Hunter
Biopolymers
(2005)
81
1,4,7,10-Tetra­kis(carbamoylmeth­yl)-1,4,7,10-tetra­azacyclo­dodecane
GO Lloyd, RC Luckay
Acta Crystallographica Section E: Crystallographic Communications
(2005)
61
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
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
PNA forms an i-motif
Y Krishnan-Ghosh, E Stephens, S Balasubramanian
Chemical communications (Cambridge, England)
(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
The journal of physical chemistry. B
(2005)
109
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
First principles study of d → d excitations in bulk NiO
DS Middlemiss, WCM *
Molecular Physics
(2005)
103
Amyloid Fibril Formation Can Proceed from Different Conformations of a Partially Unfolded Protein
M Calamai, F Chiti, CM Dobson
Biophysical journal
(2005)
89
Screening for dihydrofolate reductase inhibitors using MOLPRINT 2D, a fast fragment-based method employing the naïve Bayesian classifier: limitations of the descriptor and the importance of balanced chemistry in training and test sets.
A Bender, HY Mussa, RC Glen
Journal of biomolecular screening
(2005)
10
Amyloid Formation of a Protein in the Absence of Initial Unfolding and Destabilization of the Native State
G Soldi, F Bemporad, S Torrassa, A Relini, M Ramazzotti, N Taddei, F Chiti
Biophysical journal
(2005)
89
Aviation radiative forcing in 2000: An update on IPCC (1999)
R Sausen, I Isaksen, V Grewe, D Hauglustaine, DS Lee, G Myhre, MO Köhler, G Pitari, U Schumann, F Stordal, C Zerefos
Meteorol. Z.
(2005)
14
The folded, tetrameric phosph(III)azane macrocycle [{P(μ-N tBu)}2{1,4-(NH)2C6H 4}]4
F Dodds, F García, RA Kowenicki, M McPartlin, L Riera, A Steiner, DS Wright
Chemical Communications
(2005)
(Ethane-1,2-diamine)dinitratopalladium(II)
DJ Bray, JK Clegg, L-L Liao, LF Lindoy, JC McMurtrie, D Schilter, G Wei, T-J Won
Acta Crystallographica Section E: Crystallographic Communications
(2005)
61
Distributed Multipole Analysis:  Stability for Large Basis Sets
AJ Stone
J Chem Theory Comput
(2005)
1
Static, transient, and dynamic phase coexistence in metal nanoclusters
D Schebarchov, SC Hendy
The Journal of chemical physics
(2005)
123