Smooth Heuristic Optimization on a Complex Chemical Subspace
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP02177D, PaperJennifer M. Elward, Berend Christopher RinderspacherSeveral algorithms for optimizing a combinatorial subspace of...
View ArticleA polarizable coarse-grained protein model for Dissipative Particle Dynamics
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03479E, PaperEmanuel Karl Peter, Kirill Lykov, Igor V. PivkinWe present a new coarse-grained polarizable protein model for Dissipative...
View ArticleMode-specific fragmentation of amino acid-containing clusters
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03517A, PaperScott Hopkins, Richard A Marta, Vincent Steinmetz, Terry B. McMahonA combination of infrared multiple photon dissociation...
View ArticleEffect of H bond removal and changes in the position of the iron-sulphur head...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP02815A, PaperMarcin Sarewicz, Malgorzata Dutka, Rafal Pietras, Arkadiusz Borek, Artur OsyczkaHere, comparative electron spin-lattice...
View ArticleVolume phase transition mechanism of poly[oligo (ethylene glycol)...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03676C, PaperYuanyuan Zhou, Hui Tang, peiyi wuThermodynamic volume phase transition mechanism of poly[oligo (ethylene glycol)...
View ArticleC[identical with]N Stretching Vibration of 5-Cyanotryptophan as an Infrared...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP04413H, PaperWenkai Zhang, Beatrice N Markiewicz, Rosalie S Doerksen, Amos B Smith III, Feng GaiRecently it has been suggested that...
View ArticleGlycosaminoglycans are potential pharmacological targets for classic DNA...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03153B, CommunicationFerenc ZsilaThis is an Accepted Manuscript, which has been through the RSC Publishing peer review process and has...
View ArticleEnhanced electron spin rotation in CdS quantum dots
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP04256A, PaperYasuaki Masumoto, Hikaru Umino, Jianhui Sun, Eri SuzumuraWe studied the spin rotation of electrons in CdS quantum dots...
View ArticleMechanism of Large Stokes Shift and Aggregation-Enhanced Emission of...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03800F, PaperGuang-Xu Sun, Ming-Gang Ju, Hang Zang, Yi Zhao, WanZhen LiangOsmapentalyne cations synthesized recently show remarkable...
View ArticleHydrogen Bonding in the Ethanol-Water Dimer
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03589A, PaperIan Alan Finneran, Paul Brandon Carroll, Marco A Allodi, Geoffrey A BlakeWe report the first rotational spectrum of the...
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Ion segregation in an ionic liquid confined within chitosan based chemical...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP04198H, PaperA. Guyomard-Lack, N. Buchtova, B. Humbert, J. Le BideauIonogels based on in situ crosslinking of chitosan in the ionic liquid...
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Transferable force fields for adsorption of small gases in zeolites
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03749B, PaperA. Martin-Calvo, J. J. Gutierrez-Sevillano, J. B. Parra, C. O. Ania, S. CaleroWe provide transferable force fields for...
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Structural, optical and photoelectrochemical characterizations of monoclinic...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03645C, PaperSherdil Khan, Maximiliano J. M. Zapata, Marcelo B. Pereira, Renato V. Goncalves, Lukas Strizik, Jairton Dupont, Marcos J. L....
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Adsorbing a PVDF polymer via noncovalent interactions to effectively tune the...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03482E, PaperHui Li, Wei Chen, Yuanhui Sun, Xuri Huang, Guangtao YuNoncovalent surface-modification by a polymer can be an effective...
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Concave or convex [small pi]-dimers: the role of the pancake bond in...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03759J, PaperZhong-hua Cui, Abhinav Gupta, Hans Lischka, Miklos Kertesz[small pi]-stacking phenalenyl radical dimers are overwhelmingly...
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Unraveling the effect of La A-site substitution on oxygen ion diffusion and...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03973H, PaperChi Chen, Zarah Medina Baiyee, Francesco CiucciThe effects of La substitution on oxygen transport and catalysis in BaFeO3 are...
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Efficient control of coulomb enhanced second harmonic generation from...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03349G, PaperHanz Y. Ramirez, Jefferson Florez, Angela S. CamachoThe tunability and modulation of the second harmonic generation...
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The role of the local chemical environment of Ag on the resistive switching...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03601A, PaperE. Souchier, F. D'Acapito, P. Noe, P. Blaise, M. Bernard, V. JousseaumeGeSx-based CBRAM devices are studied using synchrotron...
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Magneto-electronic properties of graphene nanoribbons with various edge...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03927D, PaperZ. L. Yu, D. Wang, Z. Zhu, Z. H. ZhangMagneto-electronic properties of graphene nanoribbons with various edge structures...
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A new perspective: imaging the stereochemistry of molecular collisions
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03273C, PerspectiveF. J. Aoiz, M. Brouard, S. D. S. Gordon, B. Nichols, S. Stolte, V. WalpoleThe concept of the steric effect plays a...
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