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Magnetic two-dimensional molecularly imprinted materials for the recognition...
Phys. Chem. Chem. Phys., 2016, 18,718-725DOI: 10.1039/C5CP04218F, PaperFangfang Chen, Weifeng Zhao, Jingjing Zhang, Jie KongWe report a novel design of magnetic two-dimensional molecularly imprinted...
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About the electronic and photophysical properties of...
Phys. Chem. Chem. Phys., 2016, 18,726-734DOI: 10.1039/C5CP05328E, PaperDiego Cortes-Arriagada, Luis Sanhueza, Ivan Gonzalez, Paulina Dreyse, Alejandro Toro-LabbeQuantum chemistry calculations were used...
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Adsorption of O2 on anionic silver clusters: spins and electron binding...
Phys. Chem. Chem. Phys., 2016, 18,743-748DOI: 10.1039/C5CP06116D, PaperJun Ma, Xizi Cao, Xiaopeng Xing, Xuefeng Wang, Joel H. ParksExploring the reactivity of metal clusters is an important task in...
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Simulations reveal the role of composition into the atomic-level flexibility...
Phys. Chem. Chem. Phys., 2016, 18,837-845DOI: 10.1039/C5CP05650K, PaperKun Viviana Tian, Gregory A. Chass, Devis Di TommasoIncreased fluorine content in (bio)cement-forming glasses raises structural...
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Negative photoconductivity of InAs nanowires
Phys. Chem. Chem. Phys., 2016, 18,818-826DOI: 10.1039/C5CP06139C, PaperYuxiang Han, Xiao Zheng, Mengqi Fu, Dong Pan, Xing Li, Yao Guo, Jianhua Zhao, Qing ChenNegative photoconductivity is observed in...
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Hierarchical NiMoO4 nanowire arrays supported on macroporous graphene foam as...
Phys. Chem. Chem. Phys., 2016, 18,908-915DOI: 10.1039/C5CP04820F, PaperBo Wang, Songmei Li, Xiaoyu Wu, Jianhua Liu, Wenming TianNovel three-dimensional (3D) NiMoO4 nanowire arrays (NWAs) grown directly...
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Photoinduced charge separation in an oligophenylenevinylene-based...
Phys. Chem. Chem. Phys., 2016, 18,811-817DOI: 10.1039/C5CP05657H, PaperG. Pagona, A. Stergiou, H. B. Gobeze, G. Rotas, F. D'Souza, N. TagmatarchisUltrafast photoinduced charge separation in a...
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Size-dependent strain and surface energies of gold nanoclusters
Phys. Chem. Chem. Phys., 2016, 18,792-800DOI: 10.1039/C5CP06153A, PaperS. Ali, V. S. Myasnichenko, E. C. NeytsCalculation of size-dependent strain and surface energies of gold nanoparticles.The content...
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Electrochemo-dynamical characterization of polypyrrole actuators coated on...
Phys. Chem. Chem. Phys., 2016, 18,827-836DOI: 10.1039/C5CP05841D, Paper Open Access  This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.J. G....
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Towards the first theoretical scale of the trans effect in octahedral complexes
Phys. Chem. Chem. Phys., 2016, 18,982-990DOI: 10.1039/C5CP04982B, PaperFrederic Guegan, Vincent Tognetti, Laurent Joubert, Henry Chermette, Dominique Luneau, Christophe MorellIn this paper, we show...
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Energetic stability, oxidation states, and electronic structure of Bi-doped...
Phys. Chem. Chem. Phys., 2016, 18,857-865DOI: 10.1039/C5CP05556C, PaperPaul H. Joo, Maziar Behtash, Kesong YangHybrid functional calculations (HSE) well predict the relative stability of Bi-doped...
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Interactions of hydrogen with the iron and iron carbide interfaces: a ReaxFF...
Phys. Chem. Chem. Phys., 2016, 18,761-771DOI: 10.1039/C5CP06108C, PaperMd Mahbubul Islam, Chenyu Zou, Adri C. T. van Duin, Sumathy RamanHydrogen embrittlement (HE) is a well-known material phenomenon...
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In silico rational design of ionic liquids for the exfoliation and dispersion...
Phys. Chem. Chem. Phys., 2016, 18,1212-1224DOI: 10.1039/C5CP05376E, PaperGregorio Garcia, Mert Atilhan, Santiago AparicioA requirement for exploiting most of the unique properties of boron-nitride (BN)...
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Structural motifs of 2-(2-fluoro-phenyl)-ethylamine conformers
Phys. Chem. Chem. Phys., 2016, 18,1191-1201DOI: 10.1039/C5CP06131H, PaperNitzan Mayorkas, Hanan Sachs, Markus Schutz, Shun-ichi Ishiuchi, Masaaki Fujii, Otto Dopfer, Ilana BarVibronic and vibrational...
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Delayed luminescence induced by complex domains in water and in TEOS aqueous...
Phys. Chem. Chem. Phys., 2016, 18,772-780DOI: 10.1039/C5CP03420E, PaperC. Colleoni, S. Esposito, R. Grasso, M. Gulino, F. Musumeci, D. Romeli, G. Rosace, G. Salesi, A. ScordinoMany recent studies on...
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An EPR study of ampullosporin A, a medium-length peptaibiotic, in bicelles...
Phys. Chem. Chem. Phys., 2016, 18,749-760DOI: 10.1039/C5CP04136H, PaperMarco Bortolus, Annalisa Dalzini, Fernando Formaggio, Claudio Toniolo, Marina Gobbo, Anna Lisa ManieroEPR/CD spectroscopies reveal...
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Understanding performance limitation and suppression of leakage current or...
Phys. Chem. Chem. Phys., 2016, 18,661-680DOI: 10.1039/C5CP05459A, PerspectiveInnocent S. Ike, Iakovos Sigalas, Sunny IyukeSelf-discharge is known to have considerable adverse effects on the performance...
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Low field photo-CIDNP in the intramolecular electron transfer of...
Phys. Chem. Chem. Phys., 2016, 18,901-907DOI: 10.1039/C5CP04233J, PaperI. M. Magin, N. E. Polyakov, A. I. Kruppa, P. A. Purtov, T. V. Leshina, A. S. Kiryutin, M. A. Miranda, E. Nuin, M. L. MarinLow...
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Tetraalkylammonium interactions with dodecyl sulfate micelles: a molecular...
Phys. Chem. Chem. Phys., 2016, 18,878-885DOI: 10.1039/C5CP05639J, PaperGuokui Liu, Heng Zhang, Gang Liu, Shiling Yuan, Chengbu Liu2D number-density maps for S atoms of the polar head in the x-y...
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Exploring the role of the 3-center-4-electron bond in hypervalent [small...
Phys. Chem. Chem. Phys., 2016, 18,846-856DOI: 10.1039/C5CP05343A, PaperHalua Pinto de Magalhaes, Hans Peter Luthi, Patrick Bultinck[small lambda]3-Iodanes are shown to express pronounced...
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