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- Currently displaying 9721 - 9740 of 30170 publications
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)
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. Atmospheres : JGR
(2016)
121
14257
(doi: 10.1002/2016jd026006)
High order path integrals made easy
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)
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
Finite field methods for the supercell modeling of charged insulator/electrolyte interfaces
Physical Review B
(2016)
94
245309
(doi: 10.1103/PhysRevB.94.245309)
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 medica
(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
(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
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
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
Nature Chemistry
(2016)
9
396
(doi: 10.1038/nchem.2670)
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)
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.
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)
Multi-dimensional super-resolution imaging enables surface hydrophobicity mapping.
Nat Commun
(2016)
7
13544
(doi: 10.1038/ncomms13544)
