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- Currently displaying 11341 - 11360 of 29486 publications
Correlated defect nanoregions in a metal–organic framework
– Nature Communications
(2014)
5,
4176
(doi: 10.1038/ncomms5176)
Metal-Free Annulation of Arenes with 2-Aminopyridine Derivatives: The Methyl Group as a Traceless Non-Chelating Directing Group
– Angewandte Chemie International Edition
(2014)
53,
8163
(doi: 10.1002/anie.201403712)
The use of chlorobenzene as a probe molecule in molecular dynamics simulations
– J Chem Inf Model
(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)
Heterogeneous reaction of N2O5 with airborne TiO2 particles and its implication for stratospheric particle injection
– Atmospheric Chemistry and Physics
(2014)
14,
6035
(doi: 10.5194/acp-14-6035-2014)
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)
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)
Efficient host-guest energy transfer in polycationic cyclophane-perylene diimide complexes in water
– J Am Chem Soc
(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.
– The Science of the total environment
(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
(2014)
111,
9384
(doi: 10.1073/pnas.1401564111)
The H50Q mutation enhances α-synuclein aggregation, secretion, and toxicity.
– The 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
– Nat Chem Biol
(2014)
10,
613
(doi: 10.1038/nchembio.1560)
Multipolar electrostatics
– Physical chemistry chemical physics : PCCP
(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 : PCCP
(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)
Cu-catalyzed cascades to carbocycles: union of diaryliodonium salts with alkenes or alkynes exploiting remote carbocations.
– J Am Chem Soc
(2014)
136,
8851
(doi: 10.1021/ja504361y)