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- Currently displaying 10201 - 10220 of 29383 publications
Compilation and evaluation of gas phase diffusion coefficients of reactive trace gases in the atmosphere: Volume 2. Diffusivities of organic compounds, pressure-normalised mean free paths, and average Knudsen numbers for gas uptake calculations
– Atmospheric Chemistry and Physics
(2015)
15,
5585
(doi: 10.5194/acp-15-5585-2015)
The crystal-fluid interfacial free energy and nucleation rate of NaCl from different simulation methods
– J Chem Phys
(2015)
142,
194709
(doi: 10.1063/1.4921185)
Toward organometallic antischistosomal drug candidates
– Future Med Chem
(2015)
7,
821
(doi: 10.4155/FMC.15.22)
On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies
– Journal of Chemical Physics
(2015)
142,
194114
(doi: 10.1063/1.4921037)
Analysis of the performance of the CHESHIRE and YAPP methods at CASD-NMR round 3
– J Biomol NMR
(2015)
62,
503
(doi: 10.1007/s10858-015-9940-9)
Hypervalent Iodine(III) in Direct Carbon–Hydrogen Bond Functionalization
– Synlett
(2015)
26,
1785
(doi: 10.1055/s-0034-1379912)
Solid on liquid deposition, a review of technological solutions
– Microelectronic Engineering
(2015)
141,
267
(doi: 10.1016/j.mee.2015.03.068)
Selective, rapid and optically switchable regulation of protein function in live mammalian cells
– Nat Chem
(2015)
7,
554
(doi: 10.1038/NCHEM.2253)
Aggregation‐Prone Amyloid‐β⋅CuII Species Formed on the Millisecond Timescale under Mildly Acidic Conditions
– ChemBioChem
(2015)
16,
1293
(doi: 10.1002/cbic.201500080)
Complete bilayer adsorption of C16TAB on the surface of mica using neutron reflection
– J Phys Chem B
(2015)
119,
6457
(doi: 10.1021/acs.jpcb.5b00397)
ChemInform Abstract: Electrochemical Selenium‐ and Iodonium‐Initiated Cyclization of Hydroxy‐Functionalized 1,4‐Dienes.
– ChemInform
(2015)
46,
no
(doi: 10.1002/chin.201522142)
Relative binding affinities of fluorobenzene ligands in cationic rhodium bisphosphine η6-fluorobenzene complexes probed using collision-induced dissociation
– Journal of Organometallic Chemistry
(2015)
784,
75
Communication: Relation of centroid molecular dynamics and ring-polymer molecular dynamics to exact quantum dynamics.
– J Chem Phys
(2015)
142,
191101
(doi: 10.1063/1.4921234)
Development of high performance poly (ether-ketone) composites based on novel processing technique
– Materials & Design
(2015)
73,
50
(doi: 10.1016/j.matdes.2015.02.007)
Computational Study with DFT and Kinetic Models on the Mechanism of Photoinitiated Aromatic Perfluoroalkylations
– Organic letters
(2015)
17,
2676
(doi: 10.1021/acs.orglett.5b01069)
Structure and Dynamics of GeoCyp: A Thermophilic Cyclophilin with a Novel Substrate Binding Mechanism That Functions Efficiently at Low Temperatures
– Biochemistry
(2015)
54,
3207
(doi: 10.1021/acs.biochem.5b00263)
Semi-stochastic full configuration interaction quantum Monte Carlo: Developments and application.
– The Journal of Chemical Physics
(2015)
142,
184107
(doi: 10.1063/1.4920975)
Conducting Polymer Paper‐Based Cathodes for High‐Areal‐Capacity Lithium–Organic Batteries
– Energy Technology
(2015)
3,
563
(doi: 10.1002/ente.201402224)
Quasi-combinatorial energy landscapes for nanoalloy structure optimisation.
– Physical chemistry chemical physics : PCCP
(2015)
17,
28331
(doi: 10.1039/c5cp01198a)
2H and 27Al Solid-State NMR Study of the Local Environments in Al-Doped 2-Line Ferrihydrite, Goethite, and Lepidocrocite
– Chemistry of materials : a publication of the American Chemical Society
(2015)
27,
3966