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- Currently displaying 13641 - 13660 of 31557 publications
Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures
Journal of the American Chemical Society
(2014)
136
9491
(doi: 10.1021/ja504748g)
How to remove the spurious resonances from ring polymer molecular dynamics.
J Chem Phys
(2014)
140
234116
(doi: 10.1063/1.4883861)
Correlated defect nanoregions in a metal–organic framework
Nat Commun
(2014)
5
4176
(doi: 10.1038/ncomms5176)
Density-matrix quantum Monte Carlo method
Physical Review B
(2014)
89
245124
(doi: 10.1103/PhysRevB.89.245124)
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)
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)
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)
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)
Apportionment of urban aerosol sources in Cork (Ireland) by synergistic measurement techniques
Science of the Total Environment
(2014)
493
197
Efficient host-guest energy transfer in polycationic cyclophane-perylene diimide complexes in water.
J Am Chem Soc
(2014)
136
9053
(doi: 10.1021/ja5032437)
Statistical mechanics of the denatured state of a protein using replica-averaged metadynamics.
J Am Chem Soc
(2014)
136
8982
(doi: 10.1021/ja5027584)
Differences in nucleation behavior underlie the contrasting aggregation kinetics of the Aβ40 and Aβ42 peptides.
Proc Natl Acad Sci U S A
(2014)
111
9384
(doi: 10.1073/pnas.1401564111)
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)
The H50Q mutation enhances αα-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)
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)
Multipolar electrostatics.
Physical chemistry chemical physics : PCCP
(2014)
16
10367
(doi: 10.1039/c3cp54829e)
Evaluation of MnOx, Mn2O3, and Mn3O4 Electrodeposited Films for the Oxygen Evolution Reaction of Water
The Journal of Physical Chemistry C
(2014)
118
14073
(doi: 10.1021/jp500939d)
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)