Clik here to view.
Plasmon resonances tailored by Fano profiles in silver-based core-shell...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP07113E, PaperMichel Pellarin, Michel Broyer, Jean Lerme, Marie-Ange Lebeault, Julien Ramade, Emmanuel CottancinThe generic optical...
View ArticleClik here to view.
[sigma] Bond activation through tunneling: formation of the boron hydride...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP05505A, PaperYudong Qiu, Chia-Hua Wu, Henry F. Schaefer III, Wesley D. Allen, Jay AgarwalThe network of H2 additions to B+ and subsequent...
View ArticleClik here to view.
Ab initio modelling of magnetic anisotropy in Sr3NiPtO6
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP05954B, PaperA.-M. Pradipto, R. Broer, S. PicozziA full description of the multiplet physics, using a multideterminantal approach, is...
View ArticleClik here to view.
Adsorption and separation of binary and ternary mixtures of SO2, CO2 and N2...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06377A, PaperMahshid Rahimi, Jayant K. Singh, Florian Muller-PlatheThe selectivity value is found here to range from 4 to 16, indicating...
View ArticleStructural Transition Upon Hydrogenation of B20 at Different Charge States:...
Phys. Chem. Chem. Phys., 2016, Accepted ManuscriptDOI: 10.1039/C5CP07731A, PaperBing Bai, Hui BaiExtensive first-principles theoretical investigations indicate that neural B20 undergoes a dramatic...
View ArticleInvestigation of the structural preference and flexibility of the loop...
Phys. Chem. Chem. Phys., 2016, Accepted ManuscriptDOI: 10.1039/C6CP00057F, PaperJozica Dolenc, Beat H Meier, Victor H Rusu, Wilfred van GunsterenThe structural variability of a 16-residue loop...
View ArticleVoltage hysteresis of lithium ion batteries caused by mechanical stress
Phys. Chem. Chem. Phys., 2016, Accepted ManuscriptDOI: 10.1039/C5CP06179B, PaperBo Lu, Yicheng Song, Qinglin Zhang, Jie Pan, Yangtse Cheng, Junqian ZhangThe crucial role of mechanical stress on voltage...
View ArticleA Computational Investigation on the Substrate Preference of TET2
Phys. Chem. Chem. Phys., 2016, Accepted ManuscriptDOI: 10.1039/C5CP07266B, PaperJunyan Lu, Lulu Hu, Jingdong Cheng, Fang Dong, Chen Wang, Kunqian Yu, Hualiang Jiang, Qiang Cui, Yanhui Xu, Cheng LuoTET...
View ArticlePyridine Derivative/Graphene Nanoribbon Composites as Molecularly Tunable...
Phys. Chem. Chem. Phys., 2016, Accepted ManuscriptDOI: 10.1039/C5CP07463K, PaperHuiying zhang, jing-xiang zhao, Qinghai CaiIn this study, a novel strategy to design metal-free electrocatalyst for the...
View ArticleOligothiophene Wires: Impact of Torsional Conformation on the Electronic...
Phys. Chem. Chem. Phys., 2016, Accepted ManuscriptDOI: 10.1039/C5CP07092A, PaperDmitry A. Kislitsyn, Benjamen Taber, Christian F. Gervasi, Lei Zhang, Stefan C. B. Mannsfeld, James Prell, Alejandro...
View ArticleCHARMM force field parameterization protocol for self-assembling peptide...
Phys. Chem. Chem. Phys., 2016, Accepted ManuscriptDOI: 10.1039/C5CP06770G, PaperIvan Ramos Sasselli, Rein Ulijn, Tell TuttleAromatic peptide amphiphiles are known to self-assemble into nanostructures...
View ArticleSelf-assembled systems of water soluble metal 8-hydroxyquinolates with...
Phys. Chem. Chem. Phys., 2016, Accepted ManuscriptDOI: 10.1039/C5CP07085F, PaperH D Burrows, Telma Costa, Maria Luisa Ramos, Arthur Valente, Beverly Stewart, Licinia L. G. Justino, Aline I. A. Almeida,...
View ArticleClik here to view.
Computational methods for the description of pharmacologically relevant...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP03391H, PaperMalte Kokoschka, Jakub Galgonek, Jiri Vondrasek, Pavel HobzaCancer is after cardiovascular disease the most frequent cause of...
View ArticleFlavonols - Carbon Nanostructure Hybrid Systems: A DFT Study on the...
Phys. Chem. Chem. Phys., 2016, Accepted ManuscriptDOI: 10.1039/C5CP07629C, PaperGregorio Garcia, Mert Atilhan, Santiago AparicioFlavonols are a class of natural compound with potential biological and...
View ArticleClik here to view.
Deuteron NMR resolved mesogen vs. crosslinker molecular order and...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06207A, PaperJ. Milavec, V. Domenici, B. Zupancic, A. Resetic, A. Bubnov, B. Zalar2H NMR spectroscopy can resolve differences in...
View ArticleEnhanced photoelectric properties by the coordinating role of doping and...
Phys. Chem. Chem. Phys., 2016, Accepted ManuscriptDOI: 10.1039/C5CP07159C, PaperFeng-Rui Wang, Yu-Yun Su, Jin-Ku Liu, Wu YingDual techniques design in this research has successfully enriched the...
View ArticlePyrrolic-nitrogen doped graphene: a metal-free electrocatalyst with high...
Phys. Chem. Chem. Phys., 2016, Accepted ManuscriptDOI: 10.1039/C5CP07458D, PaperYue-jie Liu, jing-xiang zhao, Qinghai CaiSearching for metal-free catalysts for the carbon dioxide reduction reaction...
View ArticleGrowth behavior of gold nanoparticles synthesized in unsaturated fatty acids...
Phys. Chem. Chem. Phys., 2016, Accepted ManuscriptDOI: 10.1039/C5CP07323E, PaperAkito Fujita, Yusuke Matsumoto, Mitsuaki Takeuchi, Hiromichi Ryuto, Gikan H TakaokaPhysical vapor evaporation of metals...
View ArticleBand Gap Opening and Semiconductor-metal Phase Transition in (n, n)...
Phys. Chem. Chem. Phys., 2016, Accepted ManuscriptDOI: 10.1039/C5CP06853C, PaperM Qiu, Yuanyuan Xie, Xianfeng Gao, Jianyang Li, Yelin Deng, Dongsheng Guan, Lulu Ma, Chris YuanBand gap opening and...
View ArticleZnO Nanorods/Porous Silicon Nanowires Hybrid Structures as Highly-Sensitive...
Phys. Chem. Chem. Phys., 2016, Accepted ManuscriptDOI: 10.1039/C5CP07036H, PaperJiecui Liao, Zhengcao Li, Guojing Wang, Chienhua Chen, Shasha Lv, Mingyang LiZnO nanorods/porous silicon nanowires...
View Article