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- Currently displaying 19541 - 19560 of 29274 publications
Pathways for dissociative ethane chemisorption on Pt{110} (1x2) using density functional theory
Chemical Physics Letters
(2005)
413
289
(doi: 10.1016/j.cplett.2005.07.074)
Prediction of atomic structure from sequence for double helical DNA oligomers
Biopolymers
(2005)
81
51
(doi: 10.1002/bip.20377)
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)
A third blind test of crystal structure prediction
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
(2005)
61
511
(doi: 10.1107/s0108768105016563)
Transition state contact orders correlate with protein folding rates.
Journal of molecular biology
(2005)
352
495
(doi: 10.1016/j.jmb.2005.06.081)
Sum frequency generation from Langmuir-Blodgett multilayer films on metal and dielectric substrates.
J Phys Chem B
(2005)
109
18723
(doi: 10.1021/jp051564y)
Lattice sums and their derivatives for surface adlayers
Molecular Physics
(2005)
103
2477
(doi: 10.1080/00268970500178885)
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)
Amyloid fibril formation can proceed from different conformations of a partially unfolded protein
Biophysical journal
(2005)
89
4201
(doi: 10.1529/biophysj.105.068726)
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
J Biomol Screen
(2005)
10
658
(doi: 10.1177/1087057105281048)
Amyloid Formation of a Protein in the Absence of Initial Unfolding and Destabilization of the Native State
Biophys J
(2005)
89
4234
(doi: 10.1529/biophysj.105.067538)
Aviation radiative forcing in 2000: An update on IPCC (1999)
Meteorologische Zeitschrift
(2005)
14
555
(doi: 10.1127/0941-2948/2005/0049)
The folded, tetrameric phosph(iii)azane macrocycle [{P(µ-NtBu)}2{1,4-(NH)2C6H4}]4
Chemical Communications
(2005)
5041
(doi: 10.1039/b510636b)
(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.
Journal of Chemical Theory and Computation
(2005)
1
1128
(doi: 10.1021/ct050190+)
Static, transient, and dynamic phase coexistence in metal nanoclusters.
The Journal of Chemical Physics
(2005)
123
104701
(doi: 10.1063/1.2000248)
Development of a biologically relevant calcium phosphate substrate for sum frequency generation vibrational spectroscopy.
J Phys Chem A
(2005)
109
8745
(doi: 10.1021/jp0525742)
