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Surface treatment by binary solvents induces the crystallization of a small...
Phys. Chem. Chem. Phys., 2016, 18,735-742DOI: 10.1039/C5CP05644F, PaperWeihua Zhou, Yuanpeng Xie, Xiaotian Hu, Lin Zhang, Xiangchuan Meng, Yong Zhang, Wei Ma, Yiwang ChenThe surface treatment of...
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Facile synthesis of highly conductive sulfur-doped reduced graphene oxide sheets
Phys. Chem. Chem. Phys., 2016, 18,1125-1130DOI: 10.1039/C5CP05475C, PaperZhengshan Tian, Jitao Li, Gangyi Zhu, Junfeng Lu, Yueyue Wang, Zengliang Shi, Chunxiang XuA facile hydrothermal reaction process...
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A combined computational and experimental investigation of Mg doped [small...
Phys. Chem. Chem. Phys., 2016, 18,781-791DOI: 10.1039/C5CP05987A, PaperMonica Kosa, Hannah Noa Barad, Vijay Singh, David A. Keller, Klimentiy Shimanovich, Sven Ruhle, Assaf Y. Anderson, Arie Zaban, Dan...
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Chemical and photochemical properties of chloroharmine derivatives in aqueous...
Phys. Chem. Chem. Phys., 2016, 18,886-900DOI: 10.1039/C5CP05866J, PaperFederico A. O. Rasse-Suriani, M. Paula Denofrio, Juan G. Yanuk, M. Micaela Gonzalez, Ezequiel Wolcan, Marco Seifermann, Rosa...
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Path-dependent variational effects and multidimensional tunneling in...
Phys. Chem. Chem. Phys., 2016, 18,1032-1041DOI: 10.1039/C5CP05780A, PaperJunwei Lucas Bao, Pattrawan Sripa, Donald G. TruhlarMulti-path variational transition state theory (MP-VTST) provides a...
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Optimization of Al2O3/TiO2 nanolaminate thin films prepared with different...
Phys. Chem. Chem. Phys., 2016, 18,1042-1049DOI: 10.1039/C5CP06713H, PaperLae Ho Kim, Yong Jin Jeong, Tae Kyu An, Seonuk Park, Jin Hyuk Jang, Sooji Nam, Jaeyoung Jang, Se Hyun Kim, Chan Eon ParkThe...
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Engineering of hydrogenated two-dimensional h-BN/C superlattices as...
Phys. Chem. Chem. Phys., 2016, 18,974-981DOI: 10.1039/C5CP06037K, PaperZhun Liu, Xiaoliang Zhong, Hui Yan, Ru-Zhi WangEngineering of hydrogenated two-dimensional h-BN/C superlattices as electrostatic...
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Realizing diverse electronic and magnetic properties in hybrid zigzag BNC...
Phys. Chem. Chem. Phys., 2016, 18,1326-1340DOI: 10.1039/C5CP06069A, PaperYuanhui Sun, Guangtao Yu, Jingwei Liu, Xiaopeng Shen, Xuri Huang, Wei ChenHydrogenation is an effective strategy to precisely...
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Nanostructured BN-Mg composites: features of interface bonding and mechanical...
Phys. Chem. Chem. Phys., 2016, 18,965-969DOI: 10.1039/C5CP06289F, PaperDmitry G. Kvashnin, Arkady V. Krasheninnikov, Dmitry Shtansky, Pavel B. Sorokin, Dmitri GolbergUsing first-principles...
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Excited-state deactivation in 8-oxo-deoxyguanosine: comparison between...
Phys. Chem. Chem. Phys., 2016, 18,947-955DOI: 10.1039/C5CP05804J, PaperDeniz Tuna, Wolfgang DomckeAb initio explorations of excited-state potential-energy surfaces show that a radiationless...
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S-doped mesoporous nanocomposite of HTiNbO5 nanosheets and TiO2 nanoparticles...
Phys. Chem. Chem. Phys., 2016, 18,801-810DOI: 10.1039/C5CP06555K, PaperChao Liu, Ruirui Han, Hongmei Ji, Tao Sun, Jin Zhao, Ningna Chen, Jing Chen, Xuefeng Guo, Wenhua Hou, Weiping DingS-doped...
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A fast but accurate excitonic simulation of the electronic circular dichroism...
Phys. Chem. Chem. Phys., 2016, 18,866-877DOI: 10.1039/C5CP06341H, PaperDaniele Loco, Sandro Jurinovich, Lorenzo Di Bari, Benedetta MennucciThe CD spectra of nucleic acids can be simulated and...
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Fabrication of superhydrophilic-underwater superoleophobic inorganic...
Phys. Chem. Chem. Phys., 2016, 18,1317-1325DOI: 10.1039/C5CP06305A, PaperLuyan Liu, Chen Chen, Siyu Yang, Hua Xie, MaoGang Gong, Xiaoliang XuSynergistic superhydrophilic-underwater superoleophobic...
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Fmoc-RGDS based fibrils: atomistic details of their hierarchical assembly
Phys. Chem. Chem. Phys., 2016, 18,1265-1278DOI: 10.1039/C5CP04269K, PaperDavid Zanuy, Jordi Poater, Miquel Sola, Ian W. Hamley, Carlos AlemanWe describe the 3D supramolecular structure of Fmoc-RGDS...
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A study of the interfacial resistive switching mechanism by proton exchange...
Phys. Chem. Chem. Phys., 2016, 18,700-703DOI: 10.1039/C5CP06507K, CommunicationFei Zhou, Yao-Feng Chang, Ying-Chen Chen, Xiaohan Wu, Ye Zhang, Burt Fowler, Jack C. LeeLocalized oxygen deficiency in the...
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Micro- and nano-tubules built from loosely and tightly rolled up thin sheets
Phys. Chem. Chem. Phys., 2016, 18,1292-1301DOI: 10.1039/C5CP06084B, PaperLuisa Losensky, Bjorn Goldenbogen, Gudrun Holland, Michael Laue, Anca Petran, Jurgen Liebscher, Holger A. Scheidt, Alexander...
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N-Alkylthienopyrroledione versus benzothiadiazole pulling units in push-pull...
Phys. Chem. Chem. Phys., 2016, 18,1017-1024DOI: 10.1039/C5CP06075C, PaperJamin Ku, Yeongrok Gim, Yves Lansac, Yun Hee JangLow-band-gap push-pull copolymers are promising donor materials for bulk...
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Concentration-dependent apparent partition coefficients of ionic liquids...
Phys. Chem. Chem. Phys., 2016, 18,1105-1113DOI: 10.1039/C5CP06611E, PaperPreeti Jain, Anil KumarThis study deals with the concentration dependent apparent partition coefficients log P of the ethyl and...
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Understanding the interfacial behavior in isopycnic Lennard-Jones mixtures by...
Phys. Chem. Chem. Phys., 2016, 18,1114-1124DOI: 10.1039/C5CP06562C, PaperJose Matias Garrido, Manuel M. Pineiro, Andres Mejia, Felipe J. BlasSingular structures of total density profiles under molar...
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Prediction of two planar carbon allotropes with large meshes
Phys. Chem. Chem. Phys., 2016, 18,1172-1177DOI: 10.1039/C5CP04319K, PaperShuangYing Ma, L. Z. Sun, K. W. ZhangTwo novel two-dimensional (2D) carbon allotropes named Cy and Cz with large meshes are...
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