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- Currently displaying 11081 - 11100 of 29877 publications
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)
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
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)
ChemInform Abstract: Electrochemical Selenium‐ and Iodonium‐Initiated Cyclization of Hydroxy‐Functionalized 1,4‐Dienes.
ChemInform
(2015)
46
no
(doi: 10.1002/chin.201522142)
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)
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)
Semi-stochastic full configuration interaction quantum Monte Carlo: Developments and application
The Journal of Chemical Physics
(2015)
142
184107
(doi: 10.1063/1.4920975)
Quasi-combinatorial energy landscapes for nanoalloy structure optimisation.
Physical chemistry chemical physics : PCCP
(2015)
17
28331
(doi: 10.1039/c5cp01198a)
The rod domain is not essential for the function of plectin in maintaining tissue integrity
Molecular Biology of the Cell
(2015)
26
2402
(doi: 10.1091/mbc.E15-01-0043)
Conducting Polymer Paper-Based Cathodes for High-Areal-Capacity Lithium-Organic Batteries
Energy Technology
(2015)
3
563
(doi: 10.1002/ente.201402224)
Cover Picture: DNA‐Grafted Supramolecular Polymers: Helical Ribbon Structures Formed by Self‐Assembly of Pyrene–DNA Chimeric Oligomers (Angew. Chem. Int. Ed. 27/2015)
Angewandte Chemie International Edition
(2015)
54
7719
(doi: 10.1002/anie.201504048)
Equilibrium molecular thermodynamics from Kirkwood sampling.
J Phys Chem B
(2015)
119
6155
(doi: 10.1021/acs.jpcb.5b01800)
Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers.
The Journal of chemical physics
(2015)
142
184705
(doi: 10.1063/1.4919715)
Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity.
Journal of Chemical Physics
(2015)
142
184704
(doi: 10.1063/1.4919714)
Selective Chemical Labeling of Natural T Modifications in DNA.
Journal of the American Chemical Society
(2015)
137
9270
(doi: 10.1021/jacs.5b03730)
Communication: Water on hexagonal boron nitride from diffusion Monte Carlo
The Journal of chemical physics
(2015)
142
181101
(doi: 10.1063/1.4921106)
Discrete multiporphyrin pseudorotaxane assemblies from di- and tetravalent porphyrin building blocks
Beilstein journal of organic chemistry
(2015)
11
748
(doi: 10.3762/bjoc.11.85)
Targets of drugs are generally, and targets of drugs having side effects are specifically good spreaders of human interactome perturbations.
Scientific reports
(2015)
5
10182
(doi: 10.1038/srep10182)
The Aβ40 and Aβ42 peptides self-assemble into separate homomolecular fibrils in binary mixtures but cross-react during primary nucleation
Chemical Science
(2015)
6
4215
(doi: 10.1039/c4sc02517b)
Argon Cluster Sputtering Source for ToF-SIMS Depth Profiling of Insulating Materials: High Sputter Rate and Accurate Interfacial Information.
Journal of the American Society for Mass Spectrometry
(2015)
26
1283
(doi: 10.1007/s13361-015-1159-1)
