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- Currently displaying 12941 - 12960 of 31132 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
Direct observation of intermediates in a thermodynamically controlled solid-state dynamic covalent reaction
J Am Chem Soc
(2014)
136
16156
(doi: 10.1021/ja500707z)
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)
Facilitating biomimetic syntheses of borrerine derived alkaloids by means of flow-chemical methods
Australian Journal of Chemistry
(2014)
68
693
(doi: 10.1071/ch14530)
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)
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)
Superposition-enhanced estimation of optimal temperature spacings for parallel tempering simulations
J Chem Theory Comput
(2014)
10
5599
(doi: 10.1021/ct500797a)
Sonocrystallization yields monoclinic paracetamol with significantly improved compaction behavior
Angew Chem Int Ed Engl
(2014)
54
249
(doi: 10.1002/anie.201408894)
Which is better at predicting quantum-tunneling rates: Quantum transition-state theory or free-energy instanton theory?
Journal of Physical Chemistry Letters
(2014)
5
3976
(doi: 10.1021/jz501889v)
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)
Redox potentials and acidity constants from density functional theory based molecular dynamics.
Acc Chem Res
(2014)
47
3522
(doi: 10.1021/ar500268y)
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)
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)
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)
Palladium(II)-Catalyzed Desulfitative Synthesis of Aryl Ketones from Sodium Arylsulfinates and Nitriles: Scope, Limitations, and Mechanistic Studies
The Journal of Organic Chemistry
(2014)
79
12018
(doi: 10.1021/jo501875n)
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)
