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- Currently displaying 9061 - 9080 of 29898 publications
High order path integrals made easy.
The Journal of chemical physics
(2016)
145
234103
(doi: 10.1063/1.4971438)
Molecular dynamics simulation of tau peptides for the investigation of conformational changes induced by specific phosphorylation patterns
Methods in molecular biology (Clifton, N.J.)
(2016)
1523
33
(doi: 10.1007/978-1-4939-6598-4_3)
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
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)
Divergent Synthesis of Quinolone Natural Products from $\textit{Pseudonocardia}$ 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.
Journal of chemical theory and computation
(2016)
12
6109
(doi: 10.1021/acs.jctc.6b00734)
GPU-Accelerated Exploration of Biomolecular Energy Landscapes.
Journal of Chemical Theory and Computation
(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
(2016)
32
13054
(doi: 10.1021/acs.langmuir.6b03601)
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)
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)
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.
Journal of Physical Chemistry A
(2016)
120
9941
(doi: 10.1021/acs.jpca.6b10939)
Multi-dimensional super-resolution imaging enables surface hydrophobicity mapping
Nature Communications
(2016)
7
13544
(doi: 10.1038/ncomms13544)
Rapid Self-Assembly of Block Copolymers for Flower-Like Particles with High Throughput
Langmuir
(2016)
32
13517
(doi: 10.1021/acs.langmuir.6b03940)
The Nature of the Mechanical Bond
Angewandte Chemie - International Edition
(2016)
56
39
(doi: 10.1002/anie.201611682)
Editorial: The Future of Chemical Physics Conference 2016.
J Chem Phys
(2016)
145
220401
(doi: 10.1063/1.4968588)
Application to large systems: General discussion
Faraday Discuss
(2016)
195
671
(doi: 10.1039/C6FD90076C)
