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- Currently displaying 19981 - 20000 of 29903 publications
Pathways for dissociative ethane chemisorption on Pt{110} (1×2) using density functional theory
Chemical Physics Letters
(2005)
413
289
(doi: 10.1016/j.cplett.2005.07.074)
1,4,7,10-Tetrakis(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane
Acta Crystallographica Section E: Crystallographic Communications
(2005)
61
o3405
(doi: 10.1107/s1600536805030023)
A broadband cavity ringdown spectrometer for in-situ measurements of atmospheric trace gases
Atmospheric Chemistry and Physics
(2005)
5
2547
(doi: 10.5194/acp-5-2547-2005)
Transition state contact orders correlate with protein folding rates.
J Mol Biol
(2005)
352
495
(doi: 10.1016/j.jmb.2005.06.081)
A third blind test of crystal structure prediction
Acta crystallographica. Section B, Structural science
(2005)
61
511
(doi: 10.1107/s0108768105016563)
Sum frequency generation from Langmuir-Blodgett multilayer films on metal and dielectric substrates
The journal of physical chemistry. B
(2005)
109
18723
(doi: 10.1021/jp051564y)
Large-N_f behavior of the Yukawa model: analytic results
PoS LAT
(2005)
2005
187
First principles study of d -> d excitations in bulk NiO
Molecular Physics
(2005)
103
2513
(doi: 10.1080/00268970500179537)
Lattice sums and their derivatives for surface adlayers
Molecular Physics
(2005)
103
2477
(doi: 10.1080/00268970500178885)
Amyloid Fibril Formation Can Proceed from Different Conformations of a Partially Unfolded Protein
Biophys J
(2005)
89
4201
(doi: 10.1529/biophysj.105.068726)
Amyloid formation of a protein in the absence of initial unfolding and destabilization of the native state.
Biophysical Journal
(2005)
89
4234
(doi: 10.1529/biophysj.105.067538)
Screening for dihydrofolate reductase inhibitors using MOLPRINT 2D, a fast fragment-based method employing the naive Bayesian classifier: Limitations of the descriptor and the importance of balanced chemistry in training and test sets
Journal of biomolecular screening
(2005)
10
658
(doi: 10.1177/1087057105281048)
The folded, tetrameric phosph(III)azane macrocycle [{P(μ-N tBu)}2{1,4-(NH)2C6H 4}]4
Chem Commun (Camb)
(2005)
5041
(doi: 10.1039/b510636b)
Aviation radiative forcing in 2000: An update on IPCC (1999)
Meteorologische Zeitschrift
(2005)
14
555
(doi: 10.1127/0941-2948/2005/0049)
(Ethane-1,2-diamine)dinitratopalladium(II)
Acta Crystallographica Section E Structure Reports Online
(2005)
61
m1940
(doi: 10.1107/S1600536805027224)
Distributed Multipole Analysis: Stability for Large Basis Sets
J Chem Theory Comput
(2005)
1
1128
(doi: 10.1021/ct050190+)
Static, transient, and dynamic phase coexistence in metal nanoclusters
J Chem Phys
(2005)
123
104701
(doi: 10.1063/1.2000248)
Development of a biologically relevant calcium phosphate substrate for sum frequency generation vibrational spectroscopy.
The Journal of Physical Chemistry A
(2005)
109
8745
(doi: 10.1021/jp0525742)
Design and synthesis of aromatic inhibitors of anthranilate synthase
Organic and Biomolecular Chemistry
(2005)
3
3629
(doi: 10.1039/b510633h)
