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...
View ArticleGeometrical 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....
View ArticleGas-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...
View ArticleSynthesis, 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...
View ArticlePhotophysics 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...
View ArticleInteraction 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...
View ArticleNanoparticle 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...
View ArticleThe 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...
View ArticleHow 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,...
View ArticleUnveiling 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...
View ArticleAb 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...
View ArticleA 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...
View ArticleAn 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...
View ArticleDynamic, 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...
View ArticleHigh 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...
View ArticlePossible 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...
View ArticleNew insights into UTSA-16
Phys. Chem. Chem. Phys., 2016, 18,220-227DOI: 10.1039/C5CP05905D, Paper Open Access  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Alessio Masala, Jenny G....
View ArticleUltra-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...
View ArticleSynthesis 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...
View ArticleHydrogen-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...
View Article