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- Currently displaying 9021 - 9040 of 29256 publications
Molecular Dynamics Study of a Dual-Cation Ionomer Electrolyte.
Chemphyschem
(2016)
18
230
(doi: 10.1002/cphc.201600821)
A History of the Molecular Initiating Event.
Chem Res Toxicol
(2016)
29
2060
Fe‐Catalyzed Amination of (Hetero)Arenes with a Redox‐Active Aminating Reagent under Mild Conditions
Chemistry - A European Journal
(2016)
23
563
(doi: 10.1002/chem.201605476)
Field-enhanced ion transport in solids: Reexamination with molecular dynamics simulations
Physical Review B
(2016)
94
224304
(doi: 10.1103/PhysRevB.94.224304)
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)
Molecular dynamics simulation of tau peptides for the investigation of conformational changes induced by specific phosphorylation patterns
Methods in Molecular Biology
(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
Finite field methods for the supercell modeling of charged insulator/electrolyte interfaces
Physical Review B
(2016)
94
245309
(doi: 10.1103/physrevb.94.245309)
Anti-mesothelioma mechanism of action studies of a complex Cynara scolymus fraction using in silico target prediction and gene expression profiling.
Planta Med
(2016)
82
S1
(doi: 10.1055/s-0036-1596242)
Divergent Synthesis of Quinolone Natural Products from $\textit{Pseudonocardia}$ sp. CL38489
European J Org Chem
(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 : 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
Journal of chemical theory and computation
(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
J Chem Theory Comput
(2016)
12
6077
(doi: 10.1021/acs.jctc.6b00667)
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)
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)
Constraints on oceanic methane emissions west of Svalbard from atmospheric in situ measurements and Lagrangian transport modeling
Journal of geophysical research. Atmospheres : JGR
(2016)
121
14188
(doi: 10.1002/2016JD025590)
Proximity-Induced h‑Aggregation of cyanine dyes on DNA-Duplexes
Journal of Physical Chemistry A
(2016)
120
9941
(doi: 10.1021/acs.jpca.6b10939)
