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Interfacial zippering-up of coiled-coil protein filaments
Phys. Chem. Chem. Phys., 2015, 17,31055-31060DOI: 10.1039/C5CP05938K, PaperEmiliana De Santis, Valeria Castelletto, Maxim G. RyadnovA de novo self-assembly topology for engineering protein...
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Prediction of spin-orbital coupling effects on the electronic structure of...
Phys. Chem. Chem. Phys., 2015, 17,31253-31259DOI: 10.1039/C5CP05068E, PaperBaiqing You, Xiaocha Wang, Wenbo MiWe report a first-principles study on the electronic structure of van der Waals (vdW)...
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Why solid oxide cells can be reversibly operated in solid oxide electrolysis...
Phys. Chem. Chem. Phys., 2015, 17,31308-31315DOI: 10.1039/C5CP05065K, PaperKongfa Chen, Shu-Sheng Liu, Na Ai, Michihisa Koyama, San Ping JiangThe LSM electrode/YSZ electrolyte interface of solid oxide...
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Ab initio pressure-dependent reaction kinetics of methyl propanoate radicals
Phys. Chem. Chem. Phys., 2015, 17,31061-31072DOI: 10.1039/C5CP06004D, PaperTing Tan, Xueliang Yang, Yiguang Ju, Emily A. CarterThe unimolecular dissociation and isomerization kinetics of the three...
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Engineering oxygen vacancies towards self-activated BaLuAlxZn4-xO7-(1-x)/2...
Phys. Chem. Chem. Phys., 2015, 17,31188-31194DOI: 10.1039/C5CP05130D, PaperLan Ma, Zhiguo Xia, Victor Atuchin, Maxim Molokeev, S. Auluck, A. H. Reshak, Quanlin LiuSelf-activated yellow-emitting...
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Transformation kinetics of vapor-deposited thin film organic glasses: the...
Phys. Chem. Chem. Phys., 2015, 17,31195-31201DOI: 10.1039/C5CP04692K, Paper Open Access  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Cristian...
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Rotational dynamics of organic cations in the CH3NH3PbI3 perovskite
Phys. Chem. Chem. Phys., 2015, 17,31278-31286DOI: 10.1039/C5CP05348J, PaperTianran Chen, Benjamin J. Foley, Bahar Ipek, Madhusudan Tyagi, John R. D. Copley, Craig M. Brown, Joshua J. Choi, Seung-Hun...
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Magnetism in olivine-type LiCo1-xFexPO4 cathode materials: bridging theory...
Phys. Chem. Chem. Phys., 2015, 17,31202-31215DOI: 10.1039/C5CP04871K, PaperVijay Singh, Yelena Gershinsky, Monica Kosa, Mudit Dixit, David Zitoun, Dan Thomas MajorThis work demonstrates that inclusion...
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Photophysical deactivation pathways in adenine oligonucleotides
Phys. Chem. Chem. Phys., 2015, 17,31073-31083DOI: 10.1039/C5CP04254B, PaperVincent A. Spata, Spiridoula MatsikaQM/MM calculations on the photophysics of adenine based oligonucleotides reveal several...
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Self-assembly of phospholipids on flat supports
Phys. Chem. Chem. Phys., 2015, 17,31152-31160DOI: 10.1039/C5CP03358F, PaperAnil R. Mhashal, Sudip RoyThe current study deals with the self-assembly of phospholipids on flat supports using the Martini...
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Spatiotemporal dynamics of solvent-assisted lipid bilayer formation
Phys. Chem. Chem. Phys., 2015, 17,31145-31151DOI: 10.1039/C5CP05950J, PaperMin Chul Kim, Jurriaan J. J. Gillissen, Seyed R. Tabaei, Vladimir P. Zhdanov, Nam-Joon ChoSpatiotemporal dynamics of the...
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The electrochemical oxidation of toluene catalysed by Co(II) in...
Phys. Chem. Chem. Phys., 2015, 17,30983-30987DOI: 10.1039/C5CP04151A, CommunicationS. Balaji, K. Kannan, I. S. MoonCo(II) catalysed electro-oxidation of toluene in room temperature ionic liquid.The...
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Can silicon substituted metal-free organic dyes achieve better efficiency...
Phys. Chem. Chem. Phys., 2015, 17,31093-31100DOI: 10.1039/C5CP05144D, PaperAbul Kalam Biswas, Amitava Das, Bishwajit GangulyDFT and TD-DFT calculations performed using metal free organic dyes...
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High-performance formaldehyde gas-sensors based on three dimensional...
Phys. Chem. Chem. Phys., 2015, 17,31316-31323DOI: 10.1039/C5CP05935F, PaperLinqi Shi, Jiabao Cui, Fei Zhao, Dejun Wang, Tengfeng Xie, Yanhong Lin3D-ZnO possessing suitable grain size and excellent...
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Inorganic-organic solar cells based on quaternary sulfide as absorber materials
Phys. Chem. Chem. Phys., 2015, 17,30993-30998DOI: 10.1039/C5CP05742F, CommunicationTiantian Hong, Zhifeng Liu, Weiguo Yan, Junqi Liu, Xueqi ZhangWe report a novel promising quaternary sulfide (CuAgInS)...
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Origins of contrasting copper coordination geometries in crystalline copper...
Phys. Chem. Chem. Phys., 2015, 17,31023-31029DOI: 10.1039/C5CP05554G, PaperMichael T. Ruggiero, Alessandro Erba, Roberto Orlando, Timothy M. KorterCrystal orbital overlap population and crystal orbital...
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Chemical modification of graphene aerogels for electrochemical capacitor...
Phys. Chem. Chem. Phys., 2015, 17,30946-30962DOI: 10.1039/C5CP04203H, PerspectiveJin-Yong Hong, Jeong Jae Wie, Yu Xu, Ho Seok ParkThe demand for graphene aerogel-based ECs with enhanced capacitance and...
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Conformational changes in the heat-induced crystallization of...
Phys. Chem. Chem. Phys., 2015, 17,31084-31092DOI: 10.1039/C5CP05719A, PaperShengtong Sun, Peiyi WuThe dynamic solid-state crystallization process of poly(2-isopropyl-2-oxazoline) was studied by...
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Investigation of band gap narrowing in nitrogen-doped La2Ti2O7 with transient...
Phys. Chem. Chem. Phys., 2015, 17,31039-31043DOI: 10.1039/C5CP05637C, PaperBrandon T. Yost, Scott K. Cushing, Fanke Meng, Joeseph Bright, Derek A. Bas, Nianqiang Wu, Alan D. BristowDoping a continuum...
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Counterintuitive issues in the charge transport through molecular junctions
Phys. Chem. Chem. Phys., 2015, 17,31260-31269DOI: 10.1039/C5CP05476A, Paper Open Access  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ioan BaldeaContrary...
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