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- Currently displaying 8581 - 8600 of 29383 publications
A History of the Molecular Initiating Event
– Chemical Research in Toxicology
(2016)
29,
2060
Measurements of δ13C in CH4 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)
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)
Constraints on oceanic methane emissions west of Svalbard from atmospheric in situ measurements and Lagrangian transport modeling
– Journal of Geophysical Research: Atmospheres
(2016)
121,
14188
(doi: 10.1002/2016jd025590)
Field-enhanced ion transport in solids: Reexamination with molecular dynamics simulations
– Physical Review B
(2016)
94,
224304
(doi: 10.1103/PhysRevB.94.224304)
High order path integrals made easy
– The 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 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
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 Pseudonocardia sp. CL38489
– European journal of organic chemistry
(2016)
2016,
5799
(doi: 10.1002/ejoc.201601195)
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)
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)
GPU-Accelerated Exploration of Biomolecular Energy Landscapes
– J Chem Theory Comput
(2016)
12,
6182
(doi: 10.1021/acs.jctc.6b00934)
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)
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)
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)
Heterogeneous reaction of ClONO2 with TiO2 and SiO2 aerosol particles: implications for stratospheric particle injection for climate engineering
– Atmospheric Chemistry and Physics
(2016)
16,
15397
(doi: 10.5194/acp-16-15397-2016)
Constraints on oceanic methane emissions west of Svalbard from atmospheric in situ measurements and Lagrangian transport modeling.
– J Geophys Res Atmos
(2016)
121,
14188
(doi: 10.1002/2016JD025590)
Proximity-Induced H-Aggregation of Cyanine Dyes on DNA-Duplexes.
– J Phys Chem A
(2016)
120,
9941
(doi: 10.1021/acs.jpca.6b10939)