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- Currently displaying 9021 - 9040 of 29253 publications
Sustainability and in situ monitoring in battery development.
Nature Materials
(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
Chem Res Toxicol
(2016)
29
2060
Field-enhanced ion transport in solids: Reexamination with molecular dynamics simulations
Physical Review B
(2016)
94
224304
(doi: 10.1103/physrevb.94.224304)
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 δ$^{13}$C in CH$_{4}$ and using particle dispersion modeling to characterize sources of Arctic methane within an air mass
Journal of Geophysical Research
(2016)
121
14
(doi: 10.1002/2016jd026006)
Constraints on oceanic methane emissions west of Svalbard from atmospheric in situ measurements and Lagrangian transport modeling
Journal of Geophysical Research
(2016)
121
14,188
(doi: 10.1002/2016jd025590)
High order path integrals made easy
Journal of Chemical Physics
(2016)
145
234103
(doi: 10.1063/1.4971438)
Finite field methods for the supercell modeling of charged insulator/electrolyte interfaces
Physical Review B
(2016)
94
245309
(doi: 10.1103/PhysRevB.94.245309)
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)
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
Anti-mesothelioma mechanism of action studies of a complex Cynara scolymus fraction using in silico target prediction and gene expression profiling
Planta Medica
(2016)
82
S1
(doi: 10.1055/s-0036-1596242)
Divergent Synthesis of Quinolone Natural Products from $\textit{Pseudonocardia}$ sp. CL38489
European journal of organic chemistry
(2016)
2016
5799
(doi: 10.1002/ejoc.201601195)
Multilayering of Calcium Aerosol-OT at the Mica/Water Interface Studied with Neutron Reflection: Formation of a Condensed Lamellar Phase at the CMC.
Langmuir
(2016)
32
13054
(doi: 10.1021/acs.langmuir.6b03601)
GPU-Accelerated Exploration of Biomolecular Energy Landscapes.
Journal of chemical theory and computation
(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)
An iron-catalysed C-C bond-forming spirocyclization cascade providing sustainable access to new 3D heterocyclic frameworks.
Nat Chem
(2016)
9
396
(doi: 10.1038/nchem.2670)
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)
