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- Currently displaying 10721 - 10740 of 29161 publications
Distributed Multipoles from a Robust Basis-Space Implementation of the Iterated Stockholder Atoms Procedure.
– J Chem Theory Comput
(2014)
10,
5405
(doi: 10.1021/ct5008444)
Defining molecular initiating events in the adverse outcome pathway framework for risk assessment
– Chem Res Toxicol
(2014)
27,
2100
(doi: 10.1021/tx500345j)
Ab Initio Structure Search and in Situ 7Li NMR Studies of Discharge Products in the Li–S Battery System
– Journal of the American Chemical Society
(2014)
136,
16368
(doi: 10.1021/ja508982p)
Site-selective hexa-hetero-functionalization of α-cyclodextrin an archetypical C₆-symmetric concave cycle.
– Nature Communications
(2014)
5,
5354
(doi: 10.1038/ncomms6354)
Multifunctional supramolecular polymer networks as next-generation consolidants for archaeological wood conservation
– Proceedings of the National Academy of Sciences of the United States of America
(2014)
111,
17743
(doi: 10.1073/pnas.1406037111)
Is floral iridescence a biologically relevant cue in plant-pollinator signalling? A response to van der Kooi et al. (2014b)
– New Phytol
(2014)
205,
21
(doi: 10.1111/nph.13178)
Gaseous chemistry and aerosol mechanism developments for version 3.5.1 of the online regional model, WRF-Chem
– Geoscientific Model Development
(2014)
7,
2557
(doi: 10.5194/gmd-7-2557-2014)
Flow chemistry as a discovery tool to access sp 2 –sp 3 cross-coupling reactions via diazo compounds
– Chem Sci
(2014)
6,
1120
(doi: 10.1039/c4sc03072a)
Conservation weighting functions enable covariance analyses to detect functionally important amino acids.
– PloS one
(2014)
9,
e107723
(doi: 10.1371/journal.pone.0107723)
Disease biomarkers: What's the risk?
– Science
(2014)
346,
713
Geometrical interpretation of fluctuating hydrodynamics in diffusive systems
– Journal of Physics A: Mathematical and Theoretical
(2014)
47,
485001
An investigation of the liquid to glass transition using integral equations for the pair structure of coupled replicae
– The Journal of Chemical Physics
(2014)
141,
174505
(doi: 10.1063/1.4900774)
Facilitating Biomimetic Syntheses of Borrerine Derived Alkaloids by Means of Flow-Chemical Methods
– Australian Journal of Chemistry
(2014)
68,
693
(doi: 10.1071/CH14530)
Direct observation of intermediates in a thermodynamically controlled solid-state dynamic covalent reaction
– Journal of the American Chemical Society
(2014)
136,
16156
(doi: 10.1021/ja500707z)
A systems approach towards an intelligent and self-controlling platform for integrated continuous reaction sequences.
– Angew Chem Int Ed Engl
(2014)
54,
144
(doi: 10.1002/anie.201409356)
Gold(I)-catalysed synthesis of a furan analogue of thiamine pyrophosphate
– Beilstein journal of organic chemistry
(2014)
10,
2580
(doi: 10.3762/bjoc.10.270)
Superposition-Enhanced Estimation of Optimal Temperature Spacings for Parallel Tempering Simulations.
– Journal of Chemical Theory and Computation
(2014)
10,
5599
(doi: 10.1021/ct500797a)
Sensitivity of tropical deep convection in global models: Effects of horizontal resolution, surface constraints, and 3D atmospheric nudging
– Atmospheric Science Letters
(2014)
16,
148
(doi: 10.1002/asl2.540)
Sonocrystallization yields monoclinic paracetamol with significantly improved compaction behavior
– Angew Chem Int Ed Engl
(2014)
54,
249
(doi: 10.1002/anie.201408894)