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Pulsed EPR characterization of HIV-1 protease conformational sampling and...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP04556H, PaperZhanglong Liu, Thomas M. Casey, Mandy E. Blackburn, Xi Huang, Linh Pham, Ian Mitchelle S. de Vera, Jeffrey D. Carter, Jamie...
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Structure-barrier property relationship of biodegradable poly(butylene...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP04969E, PaperS. Charlon, S. Marais, E. Dargent, J. Soulestin, M. Sclavons, N. FollainThis work shows the correlation between the...
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Transition energies of benzoquinone anions are immune to symmetry breaking by...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP06095H, CommunicationMark H. Stockett, Steen Brondsted NielsenBreaking the symmetry of the p-benzoquinone anion by a single water molecule...
View ArticleFe- and Co-P4-embedded graphenes as electrocatalysts for the oxygen reduction...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP05551B, PaperLiyan Feng, Yue-jie Liu, jing-xiang zhaoEncouraged by the great promise of metal-nitrogen-carbon (M-N-C) materials in...
View ArticleSpontaneous Transition of a Water Droplet from Wenzel State to Cassie State:...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP05045F, PaperJiadao Wang, Shuai Chen, Darong ChenIt is widely accepted that the superhydrophobic state is attributed to the formation...
View ArticleProton transport mechanism of imidazole, triazole and phosphoric acid...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP05735C, PaperSwagata Pahari, Sudip RoyWe have performed first principle molecular dynamics simulations to elucidate the mechanism and...
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Inhibition mechanism of SAHA in HDAC: a revisit
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP05633K, CommunicationJingwei Zhou, Ruibo Wu, Hai-Bin LuoThe "Metal-dependent" mechanism: the remote second metal site (K+/Ca2+) that...
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Fluorescence of N-acylated dansylamide with a long hydrophobic tail:...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP04263A, PaperAlok Kumar Tripathi, Monalisa Mohapatra, Ashok Kumar MishraThe present work describes the synthesis and photophysical studies...
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Stable n-type doping of graphene via high-molecular-weight ethylene amines
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03196F, CommunicationInsu Jo, Youngsoo Kim, Joonhee Moon, Subeom Park, Jin San Moon, Won Bae Park, Jeong Soo Lee, Byung Hee HongWe...
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Enhanced stability of Zn2SnO4 with N719, N3 and eosin Y dye molecules for...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP04716A, PaperPartha Pratim Das, Anurag Roy, Sumita Das, Parukuttyamma Sujatha DeviWe have studied the interaction of N3, N719 and eosin Y...
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Near-ambient XPS characterization of interfacial copper species in...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP04354A, PaperManuel Monte, Guillermo Munuera, Dominique Costa, Jose C. Conesa, Arturo Martinez-AriasCatalysts based on combinations of...
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Transient study of the oxygen reduction reaction on reduced Pt and Pt alloys...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP04667J, PaperS. C. Perry, G. DenuaultBelow 100 ms the reduction of oxygen on oxide-free Pt microdisc electrodes reveals the existence of...
View ArticleAu$_{13-n}$Ag$_n$ Clusters: A Remarkably Simple Trend
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP05664K, Paperfrancisco munoz, Alejandro Varas, Jose Rogan, Juan Alejandro Valdivia, Miguel KiwiThe planar to three dimensional...
View ArticleShikimic acid ozonolysis kinetics in the transition from liquid aqueous...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP04544D, PaperSarah S. Steimer, Thomas Berkemeier, Anina Gilgen, Karl Ulrich Krieger, Thomas Peter, Manabu Shiraiwa, Markus...
View ArticleStructure and dynamics of aqueous 2 propanol mixtures: a THz TDS, NMR and...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP01132A, PaperJames McGregor, Ruoyu Li, J. Axel Zeitler, C D'Agostino, James H. P. Collins, M Mantle, H Manyar, John D. Holbrey, Marta...
View ArticleInvestigating the properties of PODIPY (Phosphorous-Dipyrromethene) with ab...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP05653E, PaperArnaud Fihey, Anthony Favennec, Boris Le Guennic, Denis JacqueminWe investigate with a hybrid SOS-CIS(D)/TD-DFT approach...
View ArticleThe pH dependence of OH radical formation in photo-electrochemical water...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP04531B, PaperYukihiro Nakabayashi, Yoshio NosakaIt has been believed that photocatalytic oxidation in water proceeds with the reaction...
View ArticleRadiation-induced transformations of matrix-isolated formic acid: an evidence...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP05446J, PaperSergey V Ryazantsev, Vladimir I. FeldmanThe effect of X-irradiation on the isolated formic acid molecules (HCOOH) in...
View ArticleDemystifying fluorine chemical shifts: Electronic structure calculations...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP05502D, PaperChandana Kasireddy, James G. Bann, Katie R. Mitchell-KochFluorine NMR spectroscopy is a powerful tool for studying...
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Electric-dipole effect of defects on the energy band alignment of rutile and...
Phys. Chem. Chem. Phys., 2015, 17,29079-29084DOI: 10.1039/C5CP04495B, PaperDaoyu Zhang, Minnan Yang, Shuai DongDFT+U calculations determined that the perfect rutile(110) and anatase(101) surfaces have...
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