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- Currently displaying 10861 - 10880 of 29338 publications
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)
Geometrical interpretation of fluctuating hydrodynamics in diffusive systems
– Journal of Physics A: Mathematical and Theoretical
(2014)
47,
485001
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
– J Am Chem Soc
(2014)
136,
16156
(doi: 10.1021/ja500707z)
A Systems Approach towards an Intelligent and Self‐Controlling Platform for Integrated Continuous Reaction Sequences
– Angewandte Chemie International Edition
(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
– Angewandte Chemie International Edition
(2014)
54,
249
(doi: 10.1002/anie.201408894)
Redox potentials and acidity constants from density functional theory based molecular dynamics
– Acc Chem Res
(2014)
47,
3522
(doi: 10.1021/ar500268y)
Determinants of G quadruplex-induced epigenetic instability in REV1-deficient cells
– EMBO Journal
(2014)
33,
2507
(doi: 10.15252/embj.201488398)
Local structure and structural rigidity of the green phosphor β-SiAlON:Eu2+
– Applied Physics Letters
(2014)
105,
181904
(doi: 10.1063/1.4901104)
Which is better at predicting quantum-tunneling rates: Quantum transition-state theory or free-energy instanton theory?
– The Journal of Physical Chemistry Letters
(2014)
5,
3976
(doi: 10.1021/jz501889v)
Holomorphic Hartree–Fock Theory and Configuration Interaction
– Journal of Chemical Theory and Computation
(2014)
10,
4795
(doi: 10.1021/ct5007696)
Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features
– Integrative biology : quantitative biosciences from nano to macro
(2014)
6,
1023
(doi: 10.1039/c4ib00175c)
HCl uptake by volcanic ash in the high temperature eruption plume: Mechanistic insights
– Geochimica et Cosmochimica Acta
(2014)
144,
188
(doi: 10.1016/j.gca.2014.08.028)
Palladium(II)-Catalyzed Desulfitative Synthesis of Aryl Ketones from Sodium Arylsulfinates and Nitriles: Scope, Limitations, and Mechanistic Studies
– J Org Chem
(2014)
79,
12018
(doi: 10.1021/jo501875n)
Synthesis of 2,3-O-benzyl-ribose and xylose and their equilibration
– Tetrahedron: Asymmetry
(2014)
25,
1424
(doi: 10.1016/j.tetasy.2014.09.004)
Depth-resolved ultra-violet spectroscopic photo current-voltage measurements for the analysis of AlGaN/GaN high electron mobility transistor epilayer deposited on Si
– Applied Physics Letters
(2014)
105,
172105
(doi: 10.1063/1.4900869)
Quantitative multiplexing with nano-self-assemblies in SERS.
– Scientific Reports
(2014)
4,
6785
(doi: 10.1038/srep06785)