Physical Chemistry Chemical Physics
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
Inhaltsverzeichnis
- 1111
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Alternative probe for the determination of the hydrogen-bond acidity of ionic liquids and their aqueous solutionsElectronic supplementary information (ESI) available: Experimental procedure, details on the probe and ILs purity and preparation of the aqueous solutions, and detailed experimental data. See DOI: 10.1039/c6cp08210fMadeira, Pedro P et al. | 2017
- 1112
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Oxygen thermomigration in acceptor-doped perovskiteShin, Donghoon et al. | 2017
- 1117
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Umbrella sampling molecular dynamics simulations reveal concerted ion movement through G-quadruplex DNA channelsElectronic supplementary information (ESI) available: Force profiles for a K+ ion moving across the entire [d(TG4T)]4 G-quadruplex channel as a function of US MD simulation time. Three window histogram plots for Na+, K+, and NH4+ ion movement in the [d(TG4T)]4 and [d(G3T4G4)]2 G-quadruplexes. See DOI: 10.1039/c7cp01028aAkhshi, Parisa et al. | 2017
- 11220
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Decoupling diffusion from the bimolecular photoinduced electron transfer reaction: a combined ultrafast spectroscopic and kinetic analysisMukherjee, Puspal / Sen, Pratik et al. | 2017
- 1123
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Enhancement of superconducting critical current density by Fe impurity substitution in NbSe2 single crystals and the vortex pinning mechanismElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00784aPervin, Rukshana et al. | 2017
- 11260
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Frequency-control of protein translocation across an oscillating nanoporeCecconi, Fabio / Shahzad, Muhammad Adnan / Marini Bettolo Marconi, Umberto et al. | 2017
- 1126
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Attraction induced frictionless sliding of rare gas monolayer on metallic surfaces: an efficient strategy for superlubricityElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08857kSun, Junhui et al. | 2017
- 11206
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The role of the long-range tail of the potential in O2 + N2 collisional inelastic vibrational energy transfersGarcia, Ernesto / Pirani, Fernando / Laganà, Antonio et al. | 2017
- 1132
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Carbon nanotubes kirigami mechanical metamaterialsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00312aZhao, Yushun et al. | 2017
- 1134
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Kinetics of crystalline nuclei growth in glassy systemsMokshin, Anatolii V et al. | 2017
- 1138
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Encapsulation into complex coacervate core micelles promotes EGFP dimerizationElectronic supplementary information (ESI) available: Ribbon diagram of the structure of wtGFP dimers, experimental details and figures of fluorescent species at 390 nm and reversibility of the EGFP spectra, calculation of the percentages of (m)EGFP dimers in C3Ms, and geometric information of the (m)EGFP molecules in C3Ms. See DOI: 10.1039/c7cp00755hNolles, A et al. | 2017
- 1139
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Insights into water-mediated ion clustering in aqueous CaSO4 solutions: pre-nucleation cluster characteristics studied by ab initio calculations and molecular dynamics simulationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00428aLi, Hui-Ji et al. | 2017
- 11043
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A new model of the chemistry of ionizing radiation in solids: CIRISShingledecker, Christopher N. / Le Gal, Romane / Herbst, Eric et al. | 2017
- 1144
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Electron transfer in silicon-bridged adjacent chromophores: the source for blue-green emissionElectronic supplementary information (ESI) available: Absorption and fluorescence spectra in BUN; determination of Onsager radius (DFT); derivation of eqn (16); DFT calculations. See DOI: 10.1039/c7cp00590cBayda, Malgorzata et al. | 2017
- 1146
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Impact of lipid composition and photosensitizer hydrophobicity on the efficiency of light-triggered liposomal releaseElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00983fMassiot, Julien et al. | 2017
- 1151
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Electrolytic conductivity-related radiofrequency heating of aqueous suspensions of nanoparticles for biomedicineElectronic supplementary information (ESI) available: Includes the spectrum of TA emission, structural characterization of Si NPs, heating rates of NaCl solutions at 27.12 MHz, heating rates of electrolytes and suspensions of Si NPs at 1.2 MHz and 40.68 MHz, and heating rates of aqueous suspensions of Si NPs before and after centrifugation. See DOI: 10.1039/c7cp00728kTamarov, Konstantin et al. | 2017
- 11502
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Structural control of side-chain chromophores to achieve highly efficient electro-optic activityYang, Yuhui / Chen, Zhuo / Liu, Jialei et al. | 2017
- 1154
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Beware of phosphate: evidence of specific dendrimer-phosphate interactionsElectronic supplementary information (ESI) available: 1H NMR peak assignment of G5·NH2; 1H and 31P NMR spectra recorded at different pHs, temperatures, times and ionic strengths; and NOESY spectra at different phosphate concentrations. See DOI: 10.1039/c7cp00875aKéri, Mónika et al. | 2017
- 11057
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The effect of chemical ordering and lattice mismatch on structural transitions in phase segregating nanoalloysRossi, Kevin / Baletto, Francesca et al. | 2017
- 1163
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Structure-property relationships of cell clusters in biotissues: 2D analysisElectronic supplementary information (ESI) available: Details of the equilibrium shape equations without volume constraint and the surface evolver code for simulation. See DOI: 10.1039/c7cp00007cZhou, Xiaohua et al. | 2017
- 1164
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Obtaining effective rate coefficients to describe the decomposition kinetics of the corannulene oxyradical at high temperaturesThis paper is dedicated to the memory of Professor Ian W. M. Smith.Electronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00639jWang, Hongmiao et al. | 2017
- 1169
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Kinetics of CO2 diffusion in human carbonic anhydrase: a study using molecular dynamics simulations and the Markov-state modelElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00887bChen, Gong et al. | 2017
- 11075
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Potential energy surface for the reaction Sm+ + CO2 → SmO+ + CO: guided ion beam and theoretical studiesArmentrout, P. B. / Cox, Richard M et al. | 2017
- 11706
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Correction: Identifying the optimal anticancer targets from the landscape of a cancer–immunity interaction networkLi, Chunhe et al. | 2017
- 11707
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Correction: Elastic strain effects on catalysis of a PdCuSi metallic glass thin filmYang, Yiyi / Adit Maark, Tuhina / Peterson, Andrew et al. | 2017
- 11708
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Correction: Ag+-induced photoluminescence enhancement in lanthanide post-functionalized MOFs and Ag+ sensingSun, Nana / Yan, Bing et al. | 2017
- 11709
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Correction: A molecular dynamics study of the ionic liquid, choline acetateWillcox, Jon A. L. / Kim, Hyunjin / Kim, Hyung J. et al. | 2017
- 11089
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The role of thermodynamic stability in the characteristics of the devitrification front of vapour-deposited glasses of tolueneRàfols-Ribé, Joan / Gonzalez-Silveira, Marta / Rodríguez-Tinoco, Cristian et al. | 2017
- 10955
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Front cover| 2017
- 10956
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Inside front cover| 2017
- 10957
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Contents list| 2017
- 1978
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Addressing uncertainty in atomistic machine learningElectronic supplementary information (ESI) available: The background information on the bootstrap resampling procedure employed, a strategy to grow a bootstrap ensemble as new training images become available, and calculation details for the two examples discussed in the manuscript. See DOI: 10.1039/c7cp00375gPeterson, Andrew A et al. | 2017
- 10986
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Carborane-based polymers: a novel class of semiconductors with tunable propertiesDong, B. / Oyelade, A. / Kelber, J. A. et al. | 2017
- 10978
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Addressing uncertainty in atomistic machine learningPeterson, Andrew A. / Christensen, Rune / Khorshidi, Alireza et al. | 2017
- 10998
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Cage-like B39+ clusters with the bonding pattern of + p double delocalization: new members of the borospherene familyZhao, X. Y. / Chen, Q. / Li, H. R. et al. | 2017
- 10998
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Cage-like B39+ clusters with the bonding pattern of σ + π double delocalization: new members of the borospherene familyZhao, Xiao-Yun / Chen, Qiang / Li, Hai-Ru et al. | 2017
- 11004
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The nanostructure of a lithium glyme solvate ionic liquid at electrified interfacesColes, Samuel W. / Mishin, Maksim / Perkin, Susan et al. | 2017
- 11011
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Alternative probe for the determination of the hydrogen-bond acidity of ionic liquids and their aqueous solutionsMadeira, Pedro P. / Passos, Helena / Gomes, Joana et al. | 2017
- 11017
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Umbrella sampling molecular dynamics simulations reveal concerted ion movement through G-quadruplex DNA channelsAkhshi, Parisa / Wu, Gang et al. | 2017
- 11026
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Attraction induced frictionless sliding of rare gas monolayer on metallic surfaces: an efficient strategy for superlubricitySun, Junhui / Zhang, Yanning / Lu, Zhibin et al. | 2017
- 11032
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Carbon nanotubes kirigami mechanical metamaterialsZhao, Yushun / Wang, Chao / Wu, Jianyang et al. | 2017
- 11064
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Obtaining effective rate coefficients to describe the decomposition kinetics of the corannulene oxyradical at high temperaturesWang, Hongmiao / You, Xiaoqing / Blitz, Mark A. et al. | 2017
- 11098
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Revisiting the (E + A) (e + a) problems of polyatomic systems with trigonal symmetry: general expansions of their vibronic HamiltoniansZeng, T. / Seidu, I. et al. | 2017
- 11111
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Dual spectra band emissive Eu2+/Mn2+ co-activated alkaline earth phosphates for indoor plant growth novel phosphor converted-LEDsYun, Young Jun / Kim, Jin Kyu / Ju, Ji Young et al. | 2017
- 11111
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Dual spectra band emissive Eu2+/Mn2+ co-activated alkaline earth phosphates for indoor plant growth novel phosphor converted-LEDsElectronic supplementary information (ESI) available: Crystal structure, photoluminescence spectra, and experimental apparatus are included. See DOI: 10.1039/c7cp00742fYun, Young Jun et al. | 2017
- 11131
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Layer-independent and layer-dependent nonlinear optical properties of two-dimensional GaX (X = S, Se, Te) nanosheetsHu, Lei / Huang, Xuri / Wei, Dongshan et al. | 2017
- 11142
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Diels-Alder reactions of graphene oxides: greatly enhanced chemical reactivity by oxygen-containing groupsElectronic supplementary information (ESI) available: Computational model, the PDOS for graphene-based models, relative energy profiles for cycloaddition reactions of TCNE, geometrical structure and relative energies for other models and the (2+2) reaction, and HOMA and Mayer bond orders. See DOI: 10.1039/c7cp01086aTang, Shaobin et al. | 2017
- 11142
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Diels–Alder reactions of graphene oxides: greatly enhanced chemical reactivity by oxygen-containing groupsTang, Shaobin / Wu, Weihua / Liu, Liangxian et al. | 2017
- 11152
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Influence of cations in lithium and magnesium polysulphide solutions: dependence of the solvent chemistryBieker, Georg / Wellmann, Julia / Kolek, Martin et al. | 2017
- 11152
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Influence of cations in lithium and magnesium polysulphide solutions: dependence of the solvent chemistryElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01238aBieker, Georg et al. | 2017
- 11163
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Electronic characterization of Geobacter sulfurreducens pilins in self-assembled monolayers unmasks tunnelling and hopping conduction pathwaysCosert, Krista M. / Steidl, Rebecca J. / Castro-Forero, Angeline et al. | 2017
- 11173
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Effect of low water content in protic ionic liquid on ions electrosorption in porous carbon: application to electrochemical capacitorsGorska, B. / Timperman, L. / Anouti, M. et al. | 2017
- 11187
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Interrelationship between TiO2 nanoparticle size and kind/size of dyes in the mechanism and conversion efficiency of dye sensitized solar cellsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01159hTahay, Pooya et al. | 2017
- 11187
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Interrelationship between TiO2 nanoparticle size and kind/size of dyes in the mechanism and conversion efficiency of dye sensitized solar cellsTahay, Pooya / Babapour Gol Afshani, Meisam / Alavi, Ali et al. | 2017
- 11197
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Structure and dynamics of [NH2(CH3)2]3Sb2Cl9 by means of 1H NMR relaxometry – quadrupolar relaxation enhancement effectsFlorek-Wojciechowska, M. / Jakubas, R. / Kruk, D. et al. | 2017
- 11212
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Recyclable Au–TiO2 nanocomposite SERS-active substrates contributed by synergistic charge-transfer effectJiang, Xin / Sun, Xiaodong / Yin, Di et al. | 2017
- 11212
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Recyclable Au-TiO2 nanocomposite SERS-active substrates contributed by synergistic charge-transfer effectElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01610gJiang, Xin et al. | 2017
- 11230
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Enhancement of superconducting critical current density by Fe impurity substitution in NbSe2 single crystals and the vortex pinning mechanismPervin, Rukshana / Krishnan, Manikanadan / Rana, Amit Kumar et al. | 2017
- 11239
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Effect of fibrous separators on the performance of lithium–sulfur batteriesChoudhury, S. / Azizi, M. / Raguzin, I. et al. | 2017
- 11239
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Effect of fibrous separators on the performance of lithium-sulfur batteriesElectronic supplementary information (ESI) available: EDX spectra of Celgard separator, contact angle measurements of different separators, TGA results of carbon mixed with sulfur, EDX results of carbon-sulfur cathode, XPS wide scan and high resolution spectra of C1s and F1s. See DOI: 10.1039/c7cp00310bChoudhury, S et al. | 2017
- 11249
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The folding mechanism and key metastable state identification of the PrP127–147 monomer studied by molecular dynamics simulations and Markov state model analysisZhou, Shuangyan / Wang, Qianqian / Wang, Yuwei et al. | 2017
- 11249
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The folding mechanism and key metastable state identification of the PrP127-147 monomer studied by molecular dynamics simulations and Markov state model analysisElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01521fZhou, Shuangyan et al. | 2017
- 11273
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Surface reactivity and vacancy defects in single-layer borophene polymorphsKulish, Vadym V. et al. | 2017
- 11273
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Surface reactivity and vacancy defects in single-layer borophene polymorphsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00637cKulish, Vadym V et al. | 2017
- 11282
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Polymorphs of two dimensional phosphorus and arsenic: insight from an evolutionary searchNahas, Suha / Bajaj, Akash / Bhowmick, Somnath et al. | 2017
- 11282
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Polymorphs of two dimensional phosphorus and arsenic: insight from an evolutionary searchElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08807dNahas, Suhas et al. | 2017
- 11289
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An FTIR emission study of the products of NO A2Σ+ (v = 0, 1) + O2 collisionsFew, Julian / Fletcher, James D. / Hancock, Gu et al. | 2017
- 11299
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Application of machine/statistical learning, artificial intelligence and statistical experimental design for the modeling and optimization of methylene blue and Cd(ii) removal from a binary aqueous solution by natural walnut carbonMazaheri, H. / Ghaedi, M. / Ahmadi Azqhandi, M. H. et al. | 2017
- 11318
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Ab initio modelling of oxygen vacancy arrangement in highly defective HfO2 resistive layersSementa, Luca / Larcher, Luca / Barcaro, Giovanni et al. | 2017
- 11326
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Network analysis and percolation transition in hydrogen bonded clusters: nitric acid and water extracted by tributyl phosphateServis, Michael J. / Wu, David T. / Braley, Jenifer C. et al. | 2017
- 11326
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Network analysis and percolation transition in hydrogen bonded clusters: nitric acid and water extracted by tributyl phosphateElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01845bServis, Michael J et al. | 2017
- 11354
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Excitation dynamics involving homogeneous multistate interactions: one and two color VMI and REMPI of HBrHróðmarsson, Helgi Rafn / Kartakoullis, Andrea / Zaouris, Dimitri et al. | 2017
- 11354
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Excitation dynamics involving homogeneous multistate interactions: one and two color VMI and REMPI of HBrElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00345eHróðmarsson, Helgi Rafn et al. | 2017
- 11366
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Selectivity of quantum dot sensitized ZnO nanotube arrays for improved photocatalytic activityGao, Ge / Xi, Qiaoyue / Zhou, Hua et al. | 2017
- 11366
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Selectivity of quantum dot sensitized ZnO nanotube arrays for improved photocatalytic activityElectronic supplementary information (ESI) available: Fig. S1-S7. DOI: 10.1039/c7cp01383cGao, Ge et al. | 2017
- 11373
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Engineering the strongly correlated properties of bulk Ruddlesden-Popper transition metal oxides via self-dopingElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01700fPham, Anh et al. | 2017
- 11373
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Engineering the strongly correlated properties of bulk Ruddlesden–Popper transition metal oxides via self-dopingPham, Anh / Li, Sean et al. | 2017
- 11380
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Encapsulation into complex coacervate core micelles promotes EGFP dimerizationNolles, A. / van Dongen, N. J. E. / Westphal, A. H. et al. | 2017
- 11390
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Insights into water-mediated ion clustering in aqueous CaSO4 solutions: pre-nucleation cluster characteristics studied by ab initio calculations and molecular dynamics simulationsLi, Hui-Ji / Yan, Dan / Cai, Hou-Qin et al. | 2017
- 11404
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Electron transfer in silicon-bridged adjacent chromophores: the source for blue-green emissionBayda, Malgorzata / Angulo, Gonzalo / Hug, Gordon L. et al. | 2017
- 11416
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Increased substrate affinity in the Escherichia coli L28R dihydrofolate reductase mutant causes trimethoprim resistanceElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01458aAbdizadeh, Haleh et al. | 2017
- 11416
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Increased substrate affinity in the Escherichia coli L28R dihydrofolate reductase mutant causes trimethoprim resistanceAbdizadeh, Haleh / Tamer, Yusuf Talha / Acar, Omer et al. | 2017
- 11429
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A nematic to nematic transformation exhibited by a rod-like liquid crystalMandle, Richard J. / Cowling, S. J. / Goodby, J. W. et al. | 2017
- 11429
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A nematic to nematic transformation exhibited by a rod-like liquid crystalElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00456gMandle, Richard J et al. | 2017
- 11436
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Electrochemical reduction of CO2 on graphene supported transition metals – towards single atom catalystsHe, Haiying / Jagvaral, Yesukhei et al. | 2017
- 11436
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Electrochemical reduction of CO2 on graphene supported transition metals - towards single atom catalystsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00915aHe, Haiying et al. | 2017
- 11447
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UV-induced hydrogen-atom transfer and hydrogen-atom detachment in monomeric 7-azaindole isolated in Ar and n-H2 matricesNowak, Maciej J. / Reva, Igor / Rostkowska, Hanna et al. | 2017
- 11447
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UV-induced hydrogen-atom transfer and hydrogen-atom detachment in monomeric 7-azaindole isolated in Ar and n-H2 matricesElectronic supplementary information (ESI) available: Relative energies of 7AI tautomers calculated at the DFT(B3LYP)/6-311++G(d,p) level (Table S1), infrared spectrum of 7AI (Fig. S1), effects of UV (λ > 270 nm) irradiation on 7AI monomers isolated in an n-H2 matrix (Fig. S2), experimental and theoretical IR spectra of the N1H tautomer (Table S2), N7H tautomer (Table S3), C3H tautomer (Table S4) and 7-azaindolyl radical (Table S5). See DOI: 10.1039/c7cp01363aNowak, Maciej J et al. | 2017
- 11455
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O vacancy formation in (Pr/Gd)BaCo2O5.5 and the role of antisite defectsOmotayo Akande, Salawu / Chroneos, Alexander / Schwingenschlögl, Udo et al. | 2017
- 11455
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O vacancy formation in (Pr/Gd)BaCo2O5.5 and the role of antisite defectsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01942dOmotayo Akande, Salawu et al. | 2017
- 11460
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Impact of lipid composition and photosensitizer hydrophobicity on the efficiency of light-triggered liposomal releaseMassiot, Julien / Makky, Ali / Di Meo, Florent et al. | 2017
- 11474
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Exploiting hydrogen bonding interactions to probe smaller linear and cyclic diamines binding to G-quadruplexes: a DFT and molecular dynamics studyKanti Si, Mrinal / Sen, Anik / Ganguly, Bishwajit et al. | 2017
- 11474
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Exploiting hydrogen bonding interactions to probe smaller linear and cyclic diamines binding to G-quadruplexes: a DFT and molecular dynamics studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00472aKanti Si, Mrinal et al. | 2017
- 11485
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Acceptor doping in the proton conductor SrZrO3Weston, Leigh / Janotti, A. / Cui, X. Y. et al. | 2017
- 11492
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Mechanical and vibrational characterization of amyloid-like HET-s nanosheets based on the skewed plate theoryChang, Hyun Joon / Lee, Myeongsang / Kim, Jae In et al. | 2017
- 11510
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Electrolytic conductivity-related radiofrequency heating of aqueous suspensions of nanoparticles for biomedicineTamarov, Konstantin / Gongalsky, Maxim / Osminkina, Liubov et al. | 2017
- 11518
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On the parallelism between the mechanisms behind chromatography and drug delivery: the role of interactions with a stationary phaseElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00832eRossi, Filippo et al. | 2017
- 11518
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On the parallelism between the mechanisms behind chromatography and drug delivery: the role of interactions with a stationary phaseRossi, Filippo / Castiglione, Franca / Salvalaglio, Matteo et al. | 2017
- 11529
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Excited state relaxation processes of H2-evolving Ru–Pd supramolecular photocatalysts containing a linear or non-linear bridge: a DFT and TDDFT studyCao, Jun / Zhou, Yun et al. | 2017
- 11529
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Excited state relaxation processes of H2-evolving Ru-Pd supramolecular photocatalysts containing a linear or non-linear bridge: a DFT and TDDFT studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07857eCao, Jun et al. | 2017
- 11540
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Beware of phosphate: evidence of specific dendrimer–phosphate interactionsKéri, Mónika / Nagy, Zoltán / Novák, Levente et al. | 2017
- 11549
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Interfacial interactions between CoTPP molecules and MgO(100) thin filmsFranke, Matthia / Wechsler, Daniel / Tariq, Quratulain et al. | 2017
- 11549
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Interfacial interactions between CoTPP molecules and MgO(100) thin filmsElectronic supplementary information (ESI) available: Lab source XPS measurements of CoTPP/MgO and a suggestion for a CoTPP unit cell. See DOI: 10.1039/c7cp00442gFranke, Matthias et al. | 2017
- 11554
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In situ template synthesis of hollow nanospheres assembled from NiCo2S4@C ultrathin nanosheets with high electrochemical activities for lithium storage and ORR catalysisWu, Xiaoyu / Li, Songmei / Wang, Bo et al. | 2017
- 11554
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In situ template synthesis of hollow nanospheres assembled from NiCo2S4@C ultrathin nanosheets with high electrochemical activities for lithium storage and ORR catalysisElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00509aWu, Xiaoyu et al. | 2017
- 11563
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Emission behaviours of novel V- and X-shaped fluorophores in response to pH and force stimuliFu, Hong-Yu / Xu, Ning / Pan, Yi-Min et al. | 2017
- 11571
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Chemical pathways for poly-anionic isomerisation in the metastable anions of tetra-deprotonated naphthalene: an intra-molecular inter-ring proton-transferVikas, / Sangwan, Poonam / Kaur, Ramanpreet et al. | 2017
- 11581
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Nanoscale controlled Li-insertion reaction induced by scanning electron-beam irradiation in a Li4Ti5O12 electrode material for lithium-ion batteriesKitta, Mitsunori / Kohyama, Masanori et al. | 2017
- 11581
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Nanoscale controlled Li-insertion reaction induced by scanning electron-beam irradiation in a Li4Ti5O12 electrode material for lithium-ion batteriesElectronic supplementary information (ESI) available: Fig. S1-S4. See DOI: 10.1039/c7cp00185aKitta, Mitsunori et al. | 2017
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Going beyond the three-state ensemble model: the electronic chemical potential and Fukui function for the general caseFranco-Pérez, Marco et al. | 2017
- 11603
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Structure–property relationships of cell clusters in biotissues: 2D analysisZhou, Xiaohua / Zhang, Erhu / Xia, Minggang et al. | 2017
- 11612
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From nano to microcrystals: effects of different synthetic pathways on the defect architecture in heavily Gd-doped ceriaCoduri, M. / Scavini, M. / Pani, M. et al. | 2017
- 11631
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Electrochemical synthesis of phosphorus-doped graphene quantum dots for free radical scavengingLi, Yan / Li, Sen / Wang, Yingmin et al. | 2017
- 11631
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Electrochemical synthesis of phosphorus-doped graphene quantum dots for free radical scavengingElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp06377bLi, Yan et al. | 2017
- 11639
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Understanding gas adsorption in MOF-5/graphene oxide composite materialsElectronic supplementary information (ESI) available: Simulation methods, MOF/GO potential energy contour, CH4KH for different MOF/GO layers, and the figure of minimum energy configuration of alkanes. See DOI: 10.1039/c7cp00066aLin, Li-Chiang et al. | 2017
- 11639
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Understanding gas adsorption in MOF-5/graphene oxide composite materialsLin, Li-Chiang / Paik, Dooam / Kim, Jihan et al. | 2017
- 11645
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Mercurophilic interactions: a theoretical study on the importance of ligandsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00542cEcheverría, Jorge et al. | 2017
- 11645
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Mercurophilic interactions: a theoretical study on the importance of ligandsEcheverría, Jorge / Cirera, Jordi / Alvarez, Santiago et al. | 2017
- 11655
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Meteorite impacts on ancient oceans opened up multiple NH3 production pathwaysShimamura, Kohei / Shimojo, Fuyuki / Nakano, Aiichiro et al. | 2017
- 11655
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Meteorite impacts on ancient oceans opened up multiple NH3 production pathwaysElectronic supplementary information (ESI) available: A rough estimate of production amount of NH3 based on the 6 km s−1 shock-wave simulation results was shown. Another desorption process of an NH3 fragment in the dissociative mechanism was also described. See DOI: 10.1039/c7cp00870hShimamura, Kohei et al. | 2017
- 11668
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Electrostatically stabilized hybrids of carbon and maghemite nanoparticles: electrochemical study and applicationBaratella, D. / Magro, M. / Jakubec, P. et al. | 2017
- 11668
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Electrostatically stabilized hybrids of carbon and maghemite nanoparticles: electrochemical study and applicationElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01486dBaratella, D et al. | 2017
- 11678
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Conformational and hydration properties modulate ice recognition by type I antifreeze protein and its mutantsChakraborty, Sandipan / Jana, Biman et al. | 2017
- 11678
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Conformational and hydration properties modulate ice recognition by type I antifreeze protein and its mutantsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00221aChakraborty, Sandipan et al. | 2017
- 11690
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Kinetics of CO2 diffusion in human carbonic anhydrase: a study using molecular dynamics simulations and the Markov-state modelChen, Gong / Kong, Xian / Lu, Diannan et al. | 2017
- 11698
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Unusual emission properties of the selected organosilicon compounds containing a styryl-carbazole chromophore: inversion of the singlet excited statesRachuta, K. / Bayda, M. / Majchrzak, M. et al. | 2017
- 11711
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Back cover| 2017
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Mechanical and vibrational characterization of amyloid-like HET-s nanosheets based on the skewed plate theoryElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01418jChang, Hyun Joon et al. | 2017
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Cage-like B39+ clusters with the bonding pattern of σ + π double delocalization: new members of the borospherene familyElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00725fZhao, Xiao-Yun et al. | 2017
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Unusual emission properties of the selected organosilicon compounds containing a styryl-carbazole chromophore: inversion of the singlet excited statesElectronic supplementary information (ESI) available: Synthetic procedure of carbazole derivatives and MS, 1H NMR, 13C NMR, and UV. See DOI: 10.1039/c7cp01292fRachuta, K et al. | 2017
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Emission behaviours of novel V- and X-shaped fluorophores in response to pH and force stimuliElectronic supplementary information (ESI) available: 1H and 13C NMR spectra, MS spectra, absorption and emission spectra, PXRD patterns, DLS diagrams, X-ray crystallography and others. See DOI: 10.1039/c7cp01281kFu, Hong-Yu et al. | 2017
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The nanostructure of a lithium glyme solvate ionic liquid at electrified interfacesElectronic supplementary information (ESI) available: Containing a description of the nanostructure at the positive electrode, simulations of bulk solvate ionic liquid, cell potential plots, and force field parameters. See DOI: 10.1039/c7cp00837fColes, Samuel W et al. | 2017
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Revisiting the (E + A) ⊗ (e + a) problems of polyatomic systems with trigonal symmetry: general expansions of their vibronic HamiltoniansElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01171gZeng, Tao et al. | 2017
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Chemical pathways for poly-anionic isomerisation in the metastable anions of tetra-deprotonated naphthalene: an intra-molecular inter-ring proton-transferElectronic supplementary information (ESI) available: Table S1 for relative energies of various species analysed, Fig. S1-S8 for the explored pathways on the PESs of these species, Fig. S9-S15 containing a few relevant species explored, Fig. S16 and S17 for inter-ring proton-transfer pathways explored, Fig. S18 comparing geometries from the various methods employed, and Fig. S19 for the orbital maps of the HOMOs and LUMOs. See DOI: 10.1039/c7cp01006kVikas et al. | 2017
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From nano to microcrystals: effects of different synthetic pathways on the defect architecture in heavily Gd-doped ceriaElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08173hCoduri, M et al. | 2017