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Evidence for the existence of Li2S2 clusters in lithium-sulfur batteries: ab...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP02781K, PaperPouya Partovi-Azar, Thomas D. Kuhne, Payam KaghazchiUsing density functional theory calculations and ab initio molecular...
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Charge carrier mobilities in organic semiconductors: crystal engineering and...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03171K, PaperAsif Bashir, Alexander Heck, Akimitsu Narita, Xinliang Feng, Alexei Nefedov, Michael Rohwerder, Klaus Mullen, Marcus Elstner,...
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O2 and H2O2 transformation steps for the oxygen reduction reaction catalyzed...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP02167G, PaperYuhang Li, Guoyu Zhong, Hao Yu, Hongjuan Wang, Feng PengDFT calculations reveal a mixed mechanism for the oxygen reduction...
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Rotational spectroscopy of methyl benzoylformate and methyl mandelate:...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03114A, PaperElijah G. Schnitzler, Mohammad Reza Poopari, Yunjie Xu, Wolfgang JagerRotational spectra of a prochiral ester, methyl...
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Locating the nucleation sites for protein encapsulated gold nanoclusters: a...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP02380G, PaperB. A. Russell, K. Kubiak-Ossowska, P. A. Mulheran, D. J. S. Birch, Y. ChenFluorescent gold nanoclusters encapsulated by...
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Mechanochemistry of lithium nitride under hydrogen gas
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP02812D, PaperZ. Li, J. Zhang, S. Wang, L. Jiang, M. Latroche, J. Du, F. CuevasThis article unveils reaction paths and chemical kinetics...
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IR spectroscopy of protonated leu-enkephalin and its 18-crown-6 complex...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP02172C, Paper Open Access  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ana Isabel Gonzalez...
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Grain-size dependence of mechanical properties in polycrystalline...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03460D, PaperMatthew Becton, Xianqiao WangMolecular dynamics simulations are performed to investigate the mechanical properties and...
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Unveiling the relationships among the viscosity equations of glass liquids...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03651H, PaperTian HaoThe underlying relationships among viscosity equations of glass liquids and colloidal suspensions are explored with...
View ArticleAppearance of Annular Ring-like Intermediates during Amyloid Fibril Formation...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03782D, PaperShruti Arya, Arpana Kumari, Vijit Dalal, Mily Bhattacharya, Samrat MukhopadhyayThe self-assembly of proteins triggered by...
View ArticleTwo Phosphonium Ionic Liquids with High Li+ Transport Number
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP02799C, PaperVitor L Martins, Nedher Sanchez-Ramirez, Mauro Ribeiro, Roberto M TorresiThis work presents the physicochemical...
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Electrochemical 'bubble swarm' enhancement of ultrasonic surface cleaning
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP02933C, PaperP. R. Birkin, D. G. Offin, C. J. B. Vian, T. G. LeightonControl and excitation of electrochemical bubble swarms enhances...
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Finite lattice model for molecular aggregation equilibria. Boolean...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03461B, PaperBlake M. Rankin, Dor Ben-Amotz, B. WidomExact finite lattice statistics and analytical approximations are used to model...
View ArticleSubstrate Effects on Monovacancies of Silicene: Studied from First Principle...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP02538A, PaperLi Rui, Yang Han, Jinming DongThe geometrical structures and electronic properties of the defective silicene with...
View ArticleExploring the Core Level Shift Origin of Sulfur and Thiolates on Pd(111)...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP04180E, PaperPilar Carro, Roberto Carlos SalvarezzaThiol molecules on planar metal surfaces are widely used for building sensing and...
View ArticleMetallonaphthalocyanines as Triplet Sensitizers for Near-Infrared Photon...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP02733K, CommunicationShogo Amemori, Nobuhiro Yanai, Nobuo KimizukaIn triplet-triplet annihilation-based photon upconversion (TTA-UC),...
View ArticleRange separated hybrids of pair coupled cluster doubles and density functionals
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP02773J, PaperAlejandro J Garza, Ireneusz Bulik, Thomas Henderson, Gustavo ScuseriaPair coupled cluster doubles (pCCD) is a...
View ArticleHigh thermoelectric performance in two-dimensional graphyne sheets predicted...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03466C, PaperXiaojian Tan, Hezhu Shao, Tianqi Hu, Guoqiang Liu, Jun Jiang, Haochuan JiangThe thermoelectric properties of...
View ArticleMolecular Dynamics Simulation of Organohalide Perovskite Precursors: solvent...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03220B, PaperJuan Jose Gutierrez-Sevillano, Shahzada Ahmad, Sofia Calero, JUAN A. ANTAThe stability and desirable crystal formation of...
View ArticleParameter-Free Continuous Drift-Diffusion Models of Amorphous Organic...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03605D, PaperPascal Kordt, Sven Stodtmann, Alexander Badinski, Mustapha Al Helwi, Christian Lennartz, Denis AndrienkoContinuous...
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