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- Currently displaying 10241 - 10260 of 30706 publications
Sustainability and in situ monitoring in battery development
Nat Mater
(2016)
16
45
(doi: 10.1038/NMAT4777)
pyFRET: A Python Library for Single Molecule Fluorescence Data Analysis
Proceedings of the 7th European Conference on Python in Science (EuroSciPy 2014)
(2016)
1412
59
(doi: 10.17863/CAM.7376)
Molecular Dynamics Study of a Dual‐Cation Ionomer Electrolyte
Chemphyschem : a European journal of chemical physics and physical chemistry
(2016)
18
230
(doi: 10.1002/cphc.201600821)
A History of the Molecular Initiating Event.
Chemical research in toxicology
(2016)
29
2060
Fe-Catalyzed Amination of (Hetero)Arenes with a Redox-Active Aminating Reagent under Mild Conditions.
Chemistry (Weinheim an der Bergstrasse, Germany)
(2016)
23
563
(doi: 10.1002/chem.201605476)
Measurements of δ13C in CH4 and using particle dispersion modeling to characterize sources of Arctic methane within an air mass
JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES
(2016)
121
14257
(doi: 10.1002/2016JD026006)
High order path integrals made easy
The Journal of Chemical Physics
(2016)
145
234103
(doi: 10.1063/1.4971438)
Field-enhanced ion transport in solids: Reexamination with molecular dynamics simulations
Physical Review B
(2016)
94
224304
(doi: 10.1103/physrevb.94.224304)
Finite field methods for the supercell modeling of charged insulator/electrolyte interfaces
Physical Review B
(2016)
94
245309
(doi: 10.1103/physrevb.94.245309)
Growth of free-standing bulk wurtzite AlxGa1-xN layers by molecular beam epitaxy using a highly efficient RF plasma source
Journal of Crystal Growth
(2016)
456
151
Molecular dynamics simulation of tau peptides for the investigation of conformational changes induced by specific phosphorylation patterns
Methods Mol Biol
(2016)
1523
33
(doi: 10.1007/978-1-4939-6598-4_3)
Divergent Synthesis of Quinolone Natural Products from $\textit{Pseudonocardia}$ sp. CL38489
European Journal of Organic Chemistry
(2016)
2016
5799
(doi: 10.1002/ejoc.201601195)
Anti-mesothelioma mechanism of action studies of a complex Cynara scolymus fraction using in silico target prediction and gene expression profiling.
Planta Med
(2016)
81
S1
(doi: 10.1055/s-0036-1596242)
Multilayering of Calcium Aerosol-OT at the Mica/Water Interface Studied with Neutron Reflection: Formation of a Condensed Lamellar Phase at the CMC
Langmuir : the ACS journal of surfaces and colloids
(2016)
32
13054
(doi: 10.1021/acs.langmuir.6b03601)
GPU-Accelerated Exploration of Biomolecular Energy Landscapes.
J Chem Theory Comput
(2016)
12
6182
(doi: 10.1021/acs.jctc.6b00934)
Structure, Thermodynamics, and Folding Pathways for a Tryptophan Zipper as a Function of Local Rigidification.
J Chem Theory Comput
(2016)
12
6109
(doi: 10.1021/acs.jctc.6b00734)
Coarse-Grained Simulations Complemented by Atomistic Molecular Dynamics Provide New Insights into Folding and Unfolding of Human Telomeric G‑Quadruplexes
Journal of Chemical Theory and Computation
(2016)
12
6077
(doi: 10.1021/acs.jctc.6b00667)
Effects of Nanoscale Heterogeneities on the Reactivity of Shocked Erythritol Tetranitrate
The Journal of Physical Chemistry C
(2016)
120
28886
(doi: 10.1021/acs.jpcc.6b11543)
Heterogeneous reaction of ClONO$_{2}$ with TiO$_{2}$ and SiO$_{2}$ aerosol particles: implications for stratospheric particle injection for climate engineering
Atmospheric Chemistry and Physics
(2016)
16
15397
(doi: 10.5194/acp-16-15397-2016)
