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- Currently displaying 11761 - 11780 of 29917 publications
The use of chlorobenzene as a probe molecule in molecular dynamics simulations.
Journal of chemical information and modeling
(2014)
54
1821
(doi: 10.1021/ci500215x)
Density-matrix quantum Monte Carlo method
Physical Review B
(2014)
89
245124
(doi: 10.1103/PhysRevB.89.245124)
Metal-Free Annulation of Arenes with 2-Aminopyridine Derivatives: The Methyl Group as a Traceless Non-Chelating Directing Group
Angewandte Chemie (International ed. in English)
(2014)
53
8163
(doi: 10.1002/anie.201403712)
Heterogeneous reaction of N2O5 with airborne TiO 2 particles and its implication for stratospheric particle injection
Atmospheric Chemistry and Physics
(2014)
14
6035
(doi: 10.5194/acp-14-6035-2014)
Estimating the concentrations of pigments and binders in lead-based paints using FT-Raman spectroscopy and principal component analysis
Journal of Raman Spectroscopy
(2014)
45
1272
(doi: 10.1002/jrs.4525)
In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naive Bayes and Parzen-Rosenblatt Window (vol 53, pg 1957, 2013)
Journal of Chemical Information and Modeling
(2014)
54
2180
(doi: 10.1021/ci500255v)
Efficient Host–Guest Energy Transfer in Polycationic Cyclophane–Perylene Diimide Complexes in Water
Journal of the American Chemical Society
(2014)
136
9053
(doi: 10.1021/ja5032437)
Metallfreie Anellierung von Arenen mit 2‐Aminopyridin‐Derivaten: die Methylgruppe als spurlose nichtchelatisierende dirigierende Gruppe
Angewandte Chemie
(2014)
126
8302
(doi: 10.1002/ange.201403712)
Apportionment of urban aerosol sources in Cork (Ireland) by synergistic measurement techniques.
Sci Total Environ
(2014)
493
197
Statistical mechanics of the denatured state of a protein using replica-averaged metadynamics.
Journal of the American Chemical Society
(2014)
136
8982
(doi: 10.1021/ja5027584)
Differences in nucleation behavior underlie the contrasting aggregation kinetics of the Aβ40 and Aβ42 peptides.
Proceedings of the National Academy of Sciences of the United States of America
(2014)
111
9384
(doi: 10.1073/pnas.1401564111)
The H50Q Mutation Enhances α-Synuclein Aggregation, Secretion, and Toxicity
Journal of Biological Chemistry
(2014)
289
21856
(doi: 10.1074/jbc.M114.553297)
13C-labelled microdialysis studies of cerebral metabolism in TBI patients
European Journal of Pharmaceutical Sciences
(2014)
57
87
(doi: 10.1016/j.ejps.2013.12.012)
Small-molecule modulation of Ras signaling.
Nature chemical biology
(2014)
10
613
(doi: 10.1038/nchembio.1560)
Multipolar electrostatics.
Physical Chemistry Chemical Physics
(2014)
16
10367
(doi: 10.1039/c3cp54829e)
The effect of atomic ions on model σ-hole bonded complexes of AH3Y (A = C, Si, Ge; Y = F, Cl, Br)
Physical Chemistry Chemical Physics
(2014)
16
10854
(doi: 10.1039/c4cp01074d)
Certification and the potential energy landscape.
The Journal of Chemical Physics
(2014)
140
224114
(doi: 10.1063/1.4881638)
Compilation and evaluation of gas-phase diffusion coefficients of inorganic reactive trace gases in the atmosphere
Atmospheric Chemistry and Physics Discussions
(2014)
14
15645
(doi: 10.5194/acpd-14-15645-2014)
The amyloid state and its association with protein misfolding diseases
Nature Reviews Molecular Cell Biology
(2014)
15
496
(doi: 10.1038/nrm3826)
Potential energy landscape of the two-dimensional XY model: Higher-index stationary points
The Journal of Chemical Physics
(2014)
140
224503
(doi: 10.1063/1.4880417)