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C-S@PANI composite with a polymer spherical network structure for high...

Phys. Chem. Chem. Phys., 2016, 18,261-266DOI: 10.1039/C5CP05447H, PaperJunkai Wang, Kaiqiang Yue, Xiaodan Zhu, Kang L. Wang, Lianfeng DuanC-S@PANI composite with conductive polymer spherical network...

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Geometrical and energetical structural changes in organic dyes for...

Phys. Chem. Chem. Phys., 2016, 18,252-260DOI: 10.1039/C5CP04589D, PaperSusanna K. Eriksson, Ida Josefsson, Hanna Ellis, Anna Amat, Mariachiara Pastore, Johan Oscarsson, Rebecka Lindblad, Anna I. K....

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Gas-phase synthesis of Mg-Ti nanoparticles for solid-state hydrogen storage

Phys. Chem. Chem. Phys., 2016, 18,141-148DOI: 10.1039/C5CP03092G, PaperM. Calizzi, F. Venturi, M. Ponthieu, F. Cuevas, V. Morandi, T. Perkisas, S. Bals, L. PasquiniThe structure of Mg-Ti nanoparticles...

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Synthesis, structure and the dehydrogenation mechanism of calcium amidoborane...

Phys. Chem. Chem. Phys., 2016, 18,244-251DOI: 10.1039/C5CP04257G, PaperZhao Li, Teng He, Guotao Wu, Weidong Chen, Yong Shen Chua, Jianping Guo, Dong Xie, Xiaohua Ju, Ping ChenThe calcium amidoborane...

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Photophysics of Auramine-O: electronic structure calculations and...

Phys. Chem. Chem. Phys., 2016, 18,403-413DOI: 10.1039/C5CP05312A, PaperBin-Bin Xie, Shu-Hua Xia, Xue-Ping Chang, Ganglong CuiSequential vs. concerted S1 relaxation pathways.The content of this RSS Feed...

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Interaction of nucleobases with silicon doped and defective silicon doped...

Phys. Chem. Chem. Phys., 2016, 18,295-309DOI: 10.1039/C5CP06059A, PaperSathish Kumar Mudedla, Kanagasabai Balamurugan, Manoharan Kamaraj, Venkatesan SubramanianThe interaction of nucleobases (NBs) with...

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Nanoparticle induced miscibility in LCST polymer blends: critically assessing...

Phys. Chem. Chem. Phys., 2016, 18,47-64DOI: 10.1039/C5CP05852J, PerspectivePriti Xavier, Praveen Rao, Suryasarathi BoseThe use of polymer blends widened the possibility of creating materials with...

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The vibrational spectroscopy of the coordinated azide anion; a theoretical study

Phys. Chem. Chem. Phys., 2016, 18,414-425DOI: 10.1039/C5CP05566K, PaperEliano Diana, Karl Gatterer, Sidney F. A. KettleDFT has been used to model azide complexes and related model systems, in order to...

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How strong are the metallocene-metallocene interactions? Cases of ferrocene,...

Phys. Chem. Chem. Phys., 2016, 18,550-556DOI: 10.1039/C5CP05956A, PaperAlba Vargas-Caamal, Sudip Pan, Filiberto Ortiz-Chi, Jose Luis Cabellos, Roberto A. Boto, Julia Contreras-Garcia, Albeiro Restrepo,...

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Unveiling the peculiar hydrogen bonding behavior of solvated N-heterocyclic...

Phys. Chem. Chem. Phys., 2016, 18,126-140DOI: 10.1039/C5CP05369B, PaperOldamur HolloczkiAfter fitting a molecular mechanical force field for imidazol-2-ylidenes, MD simulations revealed carbene-carbene...

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Ab initio variational predictions for understanding highly congested spectra:...

Phys. Chem. Chem. Phys., 2016, 18,176-189DOI: 10.1039/C5CP05265C, PaperMichael Rey, Andrei V. Nikitin, Alain Campargue, Samir Kassi, Didier Mondelain, Vladimir G. TyuterevThis work demonstrates for the...

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A zero dimensional model of lithium-sulfur batteries during charge and discharge

Phys. Chem. Chem. Phys., 2016, 18,584-593DOI: 10.1039/C5CP05755H, PaperMonica Marinescu, Teng Zhang, Gregory J. OfferThe model predicts that the precipitation rate determines the low plateau voltage...

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An electric double layer of colloidal particles in salt-free concentrated...

Phys. Chem. Chem. Phys., 2016, 18,234-243DOI: 10.1039/C5CP02994E, PaperJun-Sik Sin, Hak-Chol Pak, Kwang-Il Kim, Kuk-Chol Ri, Dok-Yong Ju, Nam-Hyok Kim, Chung-Sik SinNon-uniform size effects and...

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Dynamic, conjugated microporous polymers: visible light harvesting via...

Phys. Chem. Chem. Phys., 2016, 18,156-163DOI: 10.1039/C5CP05052A, PaperK. Venkata Rao, Ritesh Haldar, Tapas Kumar Maji, Subi J. GeorgeDynamic conjugated microporous polymers of pyrene entrap guest...

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High adsorption capacity of heavy metals on two-dimensional MXenes: an ab...

Phys. Chem. Chem. Phys., 2016, 18,228-233DOI: 10.1039/C5CP06078H, PaperXun Guo, Xitong Zhang, Shijun Zhao, Qing Huang, Jianming XueSix lead atoms adsorb on a 3 [times] 3 Ti2C1H2 unit.The content of...

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Possible interstellar formation of glycine from the reaction of CH2[double...

Phys. Chem. Chem. Phys., 2016, 18,375-381DOI: 10.1039/C5CP04987C, PaperZanele P. Nhlabatsi, Priya Bhasi, Sanyasi SithaComputational study shows the interstellar formation of glycine from CH2[double...

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New insights into UTSA-16

Phys. Chem. Chem. Phys., 2016, 18,220-227DOI: 10.1039/C5CP05905D, Paper Open Access&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Alessio Masala, Jenny G....

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Ultra-thin and porous MoSe2 nanosheets: facile preparation and enhanced...

Phys. Chem. Chem. Phys., 2016, 18,70-74DOI: 10.1039/C5CP06483J, CommunicationZhouyue Lei, Shengjie Xu, Peiyi WuUltra-thin and porous molybdenum selenide (MoSe2) nanosheets with a high active site...

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Synthesis of ZnO nanosheet arrays with exposed (100) facets for gas sensing...

Phys. Chem. Chem. Phys., 2016, 18,325-330DOI: 10.1039/C5CP04183J, PaperChuanhai Xiao, Tianye Yang, Mingyan Chuai, Bingxin Xiao, Mingzhe ZhangZnO nanosheet arrays synthesized by electrodeposition with...

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Hydrogen-bonded 4H-1-benzopyrane-4-thione-water complexes properties in the...

Phys. Chem. Chem. Phys., 2016, 18,492-502DOI: 10.1039/C5CP05427C, PaperE. Krystkowiak, R. A. Bachorz, A. MaciejewskiUnexpected results of spectral emission and photophysical study of S2-excited...

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