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  • Currently displaying 21981 - 22000 of 31827 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
Chemical communications (Cambridge, England)
(2005)
1,4,7,10-Tetrakis(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane
GO Lloyd, RC Luckay
Acta Crystallographica Section E Structure Reports Online
(2005)
61
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
PNA forms an i-motif.
Y Krishnan-Ghosh, E Stephens, S Balasubramanian
Chemical communications (Cambridge, England)
(2005)
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, Crystal Engineering and Materials
(2005)
61
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
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
Lattice sums and their derivatives for surface adlayers
AJS *
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
SLAS Discovery
(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
Electronic structure of superconducting graphite intercalate compounds: The role of the interlayer state
G Csányi, PB Littlewood, AH Nevidomskyy, CJ Pickard, BD Simons
(2005)
Static, transient, and dynamic phase coexistence in metal nanoclusters.
D Schebarchov, SC Hendy
J Chem Phys
(2005)
123
Development of a Biologically Relevant Calcium Phosphate Substrate for Sum Frequency Generation Vibrational Spectroscopy
SJ McGall, PB Davies, DJ Neivandt
Journal of Physical Chemistry A
(2005)
109