PCCP. Physical Chemistry Chemical Physics - An International Journal
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
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Front cover| 2019
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Inside front cover| 2019
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Contents list| 2019
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The canonical behavior of the entropic component of thermodynamic effective molarity. An attempt at unifying covalent and noncovalent cyclizationsDi Stefano, Stefano / Mandolini, Luigi et al. | 2019
- 988
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Thermochemistry of germanium and organogermanium compoundsBecerra, Rosa / Walsh, Robin et al. | 2019
- 1009
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Density functional theory calculations and thermodynamic analysis of bridgmanite surface structureGeng, Ming / Jónsson, Hanne et al. | 2019
- 1009
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Density functional theory calculations and thermodynamic analysis of bridgmanite surface structureElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06702cGeng, Ming / Jónsson, Hannes et al. | 2019
- 1014
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Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO3)2(pyz)3Huddart, Benjamin M. / Brambleby, Jamie / Lancaster, Tom et al. | 2019
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Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO3)2(pyz)3Electronic supplementary information (ESI) available: CIF for Cu(NO3)2(pyz)3 at 173 K. Experimental details for magnetic susceptibility, pulsed-field magnetization and muon-spin spectroscopy measurements. Additional information about density functional theory calculations. CCDC 1879250. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c8cp07160hHuddart, Benjamin M. / Brambleby, Jamie / Lancaster, Tom et al. | 2019
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A comparative study of nitrobenzene reduction using model catalystsWu, Shuchang / Lin, Yangming / Zhong, Bingwei et al. | 2019
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A comparative study of nitrobenzene reduction using model catalystsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06175kWu, Shuchang / Lin, Yangming / Zhong, Bingwei et al. | 2019
- 1023
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Polarizability in ionic liquid simulations causes hidden breakdown of linear response theoryHeid, Esther / Schröder, Christian et al. | 2019
- 1029
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Stabilization of two-dimensional penta-silicene for flexible lithium-ion battery anodes via surface chemistry reconfigurationWu, Donghai / Wang, Shuaiwei / Zhang, Shouren et al. | 2019
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Stabilization of two-dimensional penta-silicene for flexible lithium-ion battery anodes via surface chemistry reconfigurationElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp05008bWu, Donghai / Wang, Shuaiwei / Zhang, Shouren et al. | 2019
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Large amplitude motion within acetylene–rare gas complexes hosted in helium dropletsBriant, Marc / Viel, Alexandra / Mengesha, Ephriem et al. | 2019
- 1046
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Water vapor uptake into hygroscopic lithium bromide desiccant droplets: mechanisms of droplet growth and spreadingWang, Zhenying / Orejon, Daniel / Sefiane, Khellil et al. | 2019
- 1059
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Vibrational properties and Raman spectra of pristine and fluorinated blue phosphoreneDeng, Zexiang / Li, Zhibing / Wang, Weiliang et al. | 2019
- 1067
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Mineralization of phosphorylated cellulose: crucial role of surface structure and monovalent ions for optimizing calcium contentLukasheva, Natalia V. / Tolmachev, Dmitry A. / Karttunen, Mikko et al. | 2019
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Mineralization of phosphorylated cellulose: crucial role of surface structure and monovalent ions for optimizing calcium contentElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp05767bLukasheva, Natalia V. / Tolmachev, Dmitry A. / Karttunen, Mikko et al. | 2019
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Exploring new approaches towards the formability of mixed-ion perovskites by DFT and machine learningElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06528dPark, Heesoo / Mall, Raghvendra / Alharbi, Fahhad H. et al. | 2019
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Exploring new approaches towards the formability of mixed-ion perovskites by DFT and machine learningPark, Heesoo / Mall, Raghvendra / Alharbi, Fahhad H. et al. | 2019
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A systematic study of various 2D materials in the light of defect formation and oxidationDabral, A. / Lu, A. K. A. / Chiappe, D. et al. | 2019
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A systematic study of various 2D materials in the light of defect formation and oxidationElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp05665jDabral, A. / Lu, A. K. A. / Chiappe, D. et al. | 2019
- 1100
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Chemical exchange at the ferroelectric phase transition of lead germanate revealed by solid state 207Pb nuclear magnetic resonanceAvalos, Claudia E. / Walder, Brennan J. / Viger-Gravel, Jasmine et al. | 2019
- 1100
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Chemical exchange at the ferroelectric phase transition of lead germanate revealed by solid state 207Pb nuclear magnetic resonanceElectronic supplementary information (ESI) available: Additional information on pXRD, NMR parameters used during the experiments, and EPR measurements. See DOI: 10.1039/c8cp06507aAvalos, Claudia E. / Walder, Brennan J. / Viger-Gravel, Jasmine et al. | 2019
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A single boron atom doped boron nitride edge as a metal-free catalyst for N2 fixationElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp07064dMao, Xin / Zhou, Si / Yan, Cheng et al. | 2019
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A single boron atom doped boron nitride edge as a metal-free catalyst for N2 fixationMao, Xin / Zhou, Si / Yan, Cheng et al. | 2019
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Hydrogen- and oxygen-atom transfers in the thermal activation of benzene mediated by Cu2O2+ cationsCui, Jiatong / Sun, Chuanxin / Zhao, Yue et al. | 2019
- 1123
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Crystallization kinetics of thin water films on Pt(111): effects of oxygen and carbon-monoxide adspeciesSouda, Ryutaro / Aizawa, Takashi et al. | 2019
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Theoretical description of the thermomolecular orientation of anisotropic colloidsOlarte-Plata, Juan D. / Bresme, Fernando et al. | 2019
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Understanding water interactions with organic surfaces: environmental molecular beam and molecular dynamics studies of the water–butanol systemJohansson, Sofia M. / Lovrić, Josip / Kong, Xiangrui et al. | 2019
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Tuning the shape anisotropy of loosely bound colloid-like ionic clusters in solutionElectronic supplementary information (ESI) available: Containing information about the construction of our IEDs as well as details on analyzing DLS and CW EPR data. Furthermore, additional autocorrelation functions and CW EPR spectra as explained in the main text. See DOI: 10.1039/c8cp06558fEisermann, Jana / Hinderberger, Dariush et al. | 2019
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Tuning the shape anisotropy of loosely bound colloid-like ionic clusters in solutionEisermann, Jana / Hinderberger, Dariush et al. | 2019
- 1160
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Photochemistry of 2-butenedial and 4-oxo-2-pentenal under atmospheric boundary layer conditionsNewland, Mike J. / Rea, Gerard J. / Thüner, Lars P. et al. | 2019
- 1160
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Photochemistry of 2-butenedial and 4-oxo-2-pentenal under atmospheric boundary layer conditionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06437gNewland, Mike J. / Rea, Gerard J. / Thüner, Lars P. et al. | 2019
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White-light generation from all-solution-processed OLEDs using a benzothiazole–salophen derivative reactive to the ESIPT processElectronic supplementary information (ESI) available: NMR, FTIR and MS spectra, single-crystal X-ray diffraction, cyclic voltammetry, theoretical calculations, photophysical and optical-electronic data. CCDC 1842335. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c8cp06485gDuarte, Luís Gustavo Teixeira Alves / Germino, José Carlos / Berbigier, Jônatas Faleiro et al. | 2019
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White-light generation from all-solution-processed OLEDs using a benzothiazole–salophen derivative reactive to the ESIPT processDuarte, Luís Gustavo Teixeira Alve / Germino, José Carlo / Berbigier, Jônatas Faleiro et al. | 2019
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Diagnosing the plasma formed during acoustic cavitation in [BEPip][NTf2] ionic liquidPflieger, Rachel / Lejeune, Manuel / Noel, Cédric et al. | 2019
- 1190
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The optical absorption spectra of spontaneously electrical solids: the case of nitrous oxideCassidy, Andrew / James, Rachel L. / Dawes, Anita et al. | 2019
- 1198
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Influence of chelate ring type on chelate–chelate and chelate–aryl stacking: the case of nickel bis(dithiolene)Malenov, Dušan P. / Veljković, Dušan Ž. / Hall, Michael B. et al. | 2019
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Influence of chelate ring type on chelate–chelate and chelate–aryl stacking: the case of nickel bis(dithiolene)Electronic supplementary information (ESI) available: The comparison of CCSD(T)/CBS and DFT results; optimal normal distances for potential energy curves. See DOI: 10.1039/c8cp06312eMalenov, Dušan P. / Veljković, Dušan Ž. / Hall, Michael B. et al. | 2019
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Symmetry-breaking induced large piezoelectricity in Janus tellurene materialsChen, Yu / Liu, Junyi / Yu, Jiabing et al. | 2019
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Symmetry-breaking induced large piezoelectricity in Janus tellurene materialsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp04669gChen, Yu / Liu, Junyi / Yu, Jiabing et al. | 2019
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The adhesion energy measured by a stress accumulation-peeling mechanism in the exfoliation of graphiteXia, Minggang / Liang, Chunping / Cheng, Zhaofang et al. | 2019
- 1217
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The adhesion energy measured by a stress accumulation-peeling mechanism in the exfoliation of graphiteElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06608fXia, Minggang / Liang, Chunping / Cheng, Zhaofang et al. | 2019
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Femtosecond infrared spectroscopy of chlorophyll f-containing photosystem IElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp05627gZamzam, Noura / Kaucikas, Marius / Nürnberg, Dennis J. et al. | 2019
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Femtosecond infrared spectroscopy of chlorophyll f-containing photosystem IZamzam, Noura / Kaucikas, Mariu / Nürnberg, Dennis J. et al. | 2019
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Exploring the electrochemical properties of hole transporting materials from first-principles calculations: an efficient strategy to improve the performance of perovskite solar cellsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06693kDeng, Jidong / Hu, Weixia / Shen, Wei et al. | 2019
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Exploring the electrochemical properties of hole transporting materials from first-principles calculations: an efficient strategy to improve the performance of perovskite solar cellsDeng, Jidong / Hu, Weixia / Shen, Wei et al. | 2019
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Nanoscale fracture of defective popgraphene monolayersElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06577bMeng, Fanchao / Ni, Ming / Chen, Feng et al. | 2019
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Nanoscale fracture of defective popgraphene monolayersMeng, Fanchao / Ni, Ming / Chen, Feng et al. | 2019
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Heavy carbon nanodots 2: plasmon amplification in Quanta Plate™ wells and the correlation with the synchronous scattering spectrumKnoblauch, Rachael / Ra, Estelle / Geddes, Chris D. et al. | 2019
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Heavy carbon nanodots 2: plasmon amplification in Quanta Plate™ wells and the correlation with the synchronous scattering spectrumElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06299dKnoblauch, Rachael / Ra, Estelle / Geddes, Chris D. et al. | 2019
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Optical absorption in complexes of abasic DNA with noble-metal nanoclusters by first principles calculationsde Carvalho, L. C. / Silveira, O. J. / Longuinhos, R. et al. | 2019
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What factors tune the chemical equilibrium between metal-iodosylarene oxidants and high-valent metal-oxo ones?Yang, Lili / Wang, Fang / Gao, Jiali et al. | 2019
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What factors tune the chemical equilibrium between metal-iodosylarene oxidants and high-valent metal-oxo ones?Electronic supplementary information (ESI) available: The details of computational methodology, the energetic, geometric and electronic information, and Cartesian coordinates of all reaction intermediates. See DOI: 10.1039/c8cp06117cYang, Lili / Wang, Fang / Gao, Jiali et al. | 2019
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Incremental NH stretching downshift through stepwise nitrogen complexation of pyrrole: a combined jet expansion and matrix isolation studyOswald, Sönke / Suhm, Martin A. / Coussan, Stéphane et al. | 2019
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Incremental NH stretching downshift through stepwise nitrogen complexation of pyrrole: a combined jet expansion and matrix isolation studyElectronic supplementary information (ESI) available: Keywords for calculations, higher energy conformers, detailed theoretical predictions, coordinates of molecular structures. See DOI: 10.1039/c8cp07053aOswald, Sönke / Suhm, Martin A. / Coussan, Stéphane et al. | 2019
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Tuning electronic structure of monolayer InP3 in contact with graphene or Ni: effect of a buffer layer and intrinsic In and P-vacancyElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06478dLi, Zhongjun / Qian, Mingzhi / Song, Lingling et al. | 2019
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Tuning electronic structure of monolayer InP3 in contact with graphene or Ni: effect of a buffer layer and intrinsic In and P-vacancyLi, Zhongjun / Qian, Mingzhi / Song, Lingling et al. | 2019
- 1294
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Doping effect on the local structure of metamagnetic Co doped Ni/NiO:GO core–shell nanoparticles using X-ray absorption spectroscopy and the pair distribution functionGawai, U. P. / Gaikwad, D. K. / Bodke, M. R. et al. | 2019
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Doping effect on the local structure of metamagnetic Co doped Ni/NiO:GO core–shell nanoparticles using X-ray absorption spectroscopy and the pair distribution functionElectronic supplementary information (ESI) available: The SC-XRD patterns with Rietveld refinement and EDAX are provided in Fig. 1–3 for detailed information. Also the synthesis of GO is described and the TEM image of GO is provided in Fig. 4. Also the EXAFS data analysis standard procedure is given. See DOI: 10.1039/c8cp05267kGawai, U. P. / Gaikwad, D. K. / Bodke, M. R. et al. | 2019
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Optical lateral forces and torques induced by chiral surface-plasmon-polaritons and their potential applications in recognition and separation of chiral enantiomersElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06197aZhang, Qiang / Li, Junqing / Liu, Xingguang et al. | 2019
- 1308
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Optical lateral forces and torques induced by chiral surface-plasmon-polaritons and their potential applications in recognition and separation of chiral enantiomersZhang, Qiang / Li, Junqing / Liu, Xingguang et al. | 2019
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Origin of high thermoelectric performance with a wide range of compositions for BixSb2−xTe3 single quintuple layersLi, Zhen / Han, Siyu / Pan, Yuanchun et al. | 2019
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Origin of high thermoelectric performance with a wide range of compositions for BixSb2−xTe3 single quintuple layersElectronic supplementary information (ESI) available: The disorder geometry used for the BST systems, the unfolded band structures of BST single QLs with different compositions simulated using the supercell, band structures of the BiSbTe3 single quintuple layer with and without SOC, electronic transport properties of the p-type BiSbTe3 single quintuple layer with and without SOC, the relaxation time used for BST single QLs, the partial density of states (PDOS) for different elements of BST single QLs and the electrical conductivity and electronic thermal conductivity of BST single QLs. See DOI: 10.1039/c8cp06534aLi, Zhen / Han, Siyu / Pan, Yuanchun et al. | 2019
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Effects of the interplay between electron–electron interaction and intrinsic spin–orbit interaction on the indirect RKKY coupling in graphene nanoflakesMirehi, Akram / Heidari-Semiromi, Ebrahim et al. | 2019
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Optimizing oxygen functional groups in graphene quantum dots for improved antioxidant mechanismWang, Yingmin / Kong, Wenhui / Wang, Lifeng et al. | 2019
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Optimizing oxygen functional groups in graphene quantum dots for improved antioxidant mechanismElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06768fWangThese authors contributed equally to this work., Yingmin / Kong, Wenhui / Wang, Lifeng et al. | 2019
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The structural and electronic properties of 3, 3′-azothiophene photo-switching systemsElectronic supplementary information (ESI) available: (a) pdb files for relevant DFT optimized structures of 3, 3′-AT and 3, 3′-ATM; (b) UV-VIS spectra of 3, 3′-AT (black line) and 3, 3′-ATM (green line) at room temperature under thermal equilibrium, output spectra of warm light LEDs and Convoy S2+ nichia LED used for photo-switching of azothiophene molecular systems, (c) images of canonical molecular orbitals and their contributions to the most intense optical transitions in the visible region for the relevant DFT optimized structures of 3, 3′-AT and 3, 3′-ATM; (d) comparisons of DFT calculated infrared spectra of syn(cis)–trans and syn(cis)–cis for 3, 3′-AT and 3, 3′-ATM; and (e) account of the optical, electronic and structural properties of 3, 3′-azothiophene with electron donating NH2 side groups. See DOI: 10.1039/c8cp06059bHuddleston, Patrick R. / Volkov, Victor V. / Perry, Carole C. et al. | 2019
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The structural and electronic properties of 3,3′-azothiophene photo-switching systemsHuddleston, Patrick R. / Volkov, Victor V. / Perry, Carole C. et al. | 2019
- 1354
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An in situ FTIR study of the plasma- and thermally-driven reaction of isopropyl alcohol at CeO2: evidence for a loose transition state involving Ce3+?Christensen, P. A. / Mashhadani, Z. T. A. W. / Md Ali, Abd Halim Bin et al. | 2019
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An in situ FTIR study of the plasma- and thermally-driven reaction of isopropyl alcohol at CeO2: evidence for a loose transition state involving Ce3+?Electronic supplementary information (ESI) available: Schematic of reflectance cell and FTIR data. See DOI: 10.1039/c8cp05983gChristensen, P. A. / Mashhadani, Z. T. A. W. / Md Ali, Abd Halim Bin et al. | 2019
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Theoretical study on the reaction mechanism of OH radical with Z(E)-CF3CH&z.dbd;CHFXu, Chao / Wang, Chaoyang / Li, Bo et al. | 2019
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Theoretical study on the reaction mechanism of OH radical with Z(E)-CF3CHCHFElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06647gXuThese authors made equal contributions., Chao / Wang, Chaoyang / Li, Bo et al. | 2019
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Kinetic Monte Carlo simulations of organic ferroelectricsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06716cCornelissen, Tim D. / Biler, Michal / Urbanaviciute, Indre et al. | 2019
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Kinetic Monte Carlo simulations of organic ferroelectricsCornelissen, Tim D. / Biler, Michal / Urbanaviciute, Indre et al. | 2019
- 1384
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Theoretical study on the reaction mechanism and selectivity of acetylene semi-hydrogenation on Ni–Sn intermetallic catalystsRao, De-Ming / Sun, Tao / Yang, Yu-Sen et al. | 2019
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Theoretical study on the reaction mechanism and selectivity of acetylene semi-hydrogenation on Ni–Sn intermetallic catalystsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06032kRaoThese authors contributed equally to this work and should be considered co-first authors., De-Ming / Sun, Tao / Yang, Yu-Sen et al. | 2019
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In situ XPS analysis of the atomic layer deposition of aluminium oxide on titanium dioxideTemperton, Robert H. / Gibson, Andrew / O'Shea, James N. et al. | 2019
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Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emissionFu, Hong-Yu / Liu, Xiao-Jing / Zha, Hao et al. | 2019
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Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emissionElectronic supplementary information (ESI) available: 1H and 13C NMR spectra, MS, absorption and emission spectra, PXRD patterns, DSC curves, X-ray crystallography and others. CCDC 1551667, 1844322 and 1834423–1834425. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c8cp06613bFu, Hong-Yu / Liu, Xiao-Jing / Zha, Hao et al. | 2019
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Dissection of the multichannel reaction of acetylene with atomic oxygen: from the global potential energy surface to rate coefficients and branching dynamicsZuo, Junxiang / Chen, Qixin / Hu, Xixi et al. | 2019
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Dissection of the multichannel reaction of acetylene with atomic oxygen: from the global potential energy surface to rate coefficients and branching dynamicsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp07084aZuo, Junxiang / Chen, Qixin / Hu, Xixi et al. | 2019
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Versatile fabrication of patchy nanoparticles via patterning of grafted diblock copolymers on NP surfaceYu, Linxiuzi / Shi, Rui / Qian, Hu-Jun et al. | 2019
- 1428
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Role of sulfur in proton-induced collisions of RNA prebiotic precursorsBacchus-Montabonel, Marie-Christine et al. | 2019
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Role of sulfur in proton-induced collisions of RNA prebiotic precursorsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp07204cBacchus-Montabonel, Marie-Christine et al. | 2019
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Sensitivity analysis of the variability of amyloid aggregation profilesElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp05904gGrigolato, Fulvio / Arosio, Paolo et al. | 2019
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Sensitivity analysis of the variability of amyloid aggregation profilesGrigolato, Fulvio / Arosio, Paolo et al. | 2019
- 1443
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Rotational (de)-excitation of cyclic and linear C3H2 by collision with HeElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06623jBen Khalifa, M. / Sahnoun, E. / Wiesenfeld, L. et al. | 2019
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Rotational (de)-excitation of cyclic and linear C3H2 by collision with HeBen Khalifa, M. / Sahnoun, E. / Wiesenfeld, L. et al. | 2019
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Theoretical and experimental comparative study of the stability and phase transformations of sesquichalcogenides M2Q3 (M = Nb, Mo; Q = S, Se)Electronic supplementary information (ESI) available. See DOI: 10.1039/c8cp07150kIvanova, Mariia N. / Enyashin, Andrey N. / Grayfer, Ekaterina D. et al. | 2019
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Theoretical and experimental comparative study of the stability and phase transformations of sesquichalcogenides M2Q3 (M = Nb, Mo; Q = S, Se)Ivanova, Mariia N. / Enyashin, Andrey N. / Grayfer, Ekaterina D. et al. | 2019
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Nonlinear diffusion, bonding, and mechanics of the interface between austenitic steel and ironQin, Qin / He, Wei / Xie, Lu et al. | 2019
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Nonlinear diffusion, bonding, and mechanics of the interface between austenitic steel and ironElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp07123cQin, Qin / He, Wei / Xie, Lu et al. | 2019
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Mechanisms of lipid extraction from skin lipid bilayers by sebum triglyceridesElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp05706kTascini, Anna Sofia / NoroPresent address: Science and Technology Facility Council (STFC), Daresbury Laboratory, Sci-Tech Daresbury, Keckwick Lane, Daresbury, Warrington, WA4 4AD, UK., Massimo G. / Seddon, John M. et al. | 2019
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Mechanisms of lipid extraction from skin lipid bilayers by sebum triglyceridesTascini, Anna Sofia / Noro, Massimo G. / Seddon, John M. et al. | 2019
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Promoted water splitting by efficient electron transfer between Au nanoparticles and hematite nanoplates: a theoretical and experimental studyLei, Fengcai / Liu, Huimin / Yu, Jing et al. | 2019
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Promoted water splitting by efficient electron transfer between Au nanoparticles and hematite nanoplates: a theoretical and experimental studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06926cLeiThese authors contributed equally to this work., Fengcai / Liu, Huimin / Yu, Jing et al. | 2019
- 1484
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A molecular dynamics study on the interface morphology of vapor-deposited amorphous organic thin filmsYoo, Dongsun / Song, Hochul / Youn, Yong et al. | 2019
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A molecular dynamics study on the interface morphology of vapor-deposited amorphous organic thin filmsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp05294hYooThese authors contributed equally., Dongsun / Song, Hochul / Youn, Yong et al. | 2019
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Why co-catalyst-loaded rutile facilitates photocatalytic hydrogen evolutionElectronic supplementary information (ESI) available: Details of catalyst preparation and characterization; the analysis of thermal reaction products, a detailed description of photocatalytic activity measurements and more results concerning methanol photocatalysis. See DOI: 10.1039/c8cp05513kWalentaThese authors contributed equally to this work., Constantin A. / Kollmannsberger, Sebastian L. / Courtois, Carla et al. | 2019
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Why co-catalyst-loaded rutile facilitates photocatalytic hydrogen evolutionWalenta, Constantin A. / Kollmannsberger, Sebastian L. / Courtois, Carla et al. | 2019
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Atmospheric chemistry of a cyclic hydro-fluoro-carbon: kinetics and mechanisms of gas-phase reactions of 1-trifluoromethyl-1,2,2-trifluorocyclobutane with Cl atoms, OH radicals, and O3Sulbaek Andersen, Mads Peter / Nielsen, Ole John et al. | 2019
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N–H bond activation in ammonia by TM-SSZ-13 (Fe, Co, Ni and Cu) zeolites: a first-principles calculationElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06263cWang, Linxia / Chen, Haijun / Wang, Weichao et al. | 2019
- 1506
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N–H bond activation in ammonia by TM-SSZ-13 (Fe, Co, Ni and Cu) zeolites: a first-principles calculationWang, Linxia / Chen, Haijun / Wang, Weichao et al. | 2019
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Theoretical insight into the mechanism of photoreduction of CO2 to CO by graphitic carbon nitrideElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06956eWu, Hong-Zhang / Bandaru, Sateesh / Huang, Xiao-Li et al. | 2019
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Theoretical insight into the mechanism of photoreduction of CO2 to CO by graphitic carbon nitrideWu, Hong-Zhang / Bandaru, Sateesh / Huang, Xiao-Li et al. | 2019
- 1521
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Band structure engineering of SnS2/polyphenylene van der Waals heterostructure via interlayer distance and electric fieldZhang, Qian / Li, Xueping / Wang, Tianxing et al. | 2019
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Imaging the infrared multiphoton excitation and dissociation of propargyl chlorideFoley, Casey D. / Alavi, S. Tahereh / Joalland, Baptiste et al. | 2019
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Imaging the infrared multiphoton excitation and dissociation of propargyl chlorideElectronic supplementary information (ESI) available: Geometries and intrinsic reaction coordinate calculations are provided. See DOI: 10.1039/c8cp06668jFoley, Casey D. / Alavi, S. Tahereh / Joalland, Baptiste et al. | 2019
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Emulsions stabilized with mixed SiO2 and Fe3O4 nanoparticles: mechanisms of stabilization and long-term stabilityKoroleva, M. / Bidanov, D. / Yurtov, E. et al. | 2019
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Single tungsten atom supported on N-doped graphyne as a high-performance electrocatalyst for nitrogen fixation under ambient conditionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06978fHe, Tianwei / Matta, Sri Kasi / Du, Aijun et al. | 2019
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Single tungsten atom supported on N-doped graphyne as a high-performance electrocatalyst for nitrogen fixation under ambient conditionsHe, Tianwei / Matta, Sri Kasi / Du, Aijun et al. | 2019
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Evaluating chemical bonding in dioxides for the development of metal–oxygen batteries: vibrational spectroscopic trends of dioxygenyls, dioxygen, superoxides and peroxidesElectronic supplementary information (ESI) available: Tabulated data from meta-analysis. See DOI: 10.1039/c8cp04652bRadjenovic, Petar M. / Hardwick, Laurence J. et al. | 2019
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Evaluating chemical bonding in dioxides for the development of metal–oxygen batteries: vibrational spectroscopic trends of dioxygenyls, dioxygen, superoxides and peroxidesRadjenovic, Petar M. / Hardwick, Laurence J. et al. | 2019
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Crossover in the inelastic electron tunneling spectra of conjugated molecules with direct Au–C linksMontes, Enrique / Foti, Giuseppe / Vázquez, Héctor et al. | 2019
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Crossover in the inelastic electron tunneling spectra of conjugated molecules with direct Au–C linksElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06290kMontes, Enrique / FotiPresent address: Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, Donostia-San Sebastián 20018, Spain., Giuseppe / Vázquez, Héctor et al. | 2019
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Fluorescence correlation spectroscopy for multiple-site equilibrium binding: a case of doxorubicin–DNA interactionZhang, Xuzhu / Poniewierski, Andrzej / Sozański, Krzysztof et al. | 2019
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Fluorescence correlation spectroscopy for multiple-site equilibrium binding: a case of doxorubicin–DNA interactionElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06752jZhang, Xuzhu / Poniewierski, Andrzej / Sozański, Krzysztof et al. | 2019
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Uncovering the role of the stationary points in the dynamics of the F− + CH3I reactionElectronic supplementary information (ESI) available: Definition of the interaction region and detailed results (stationary-point probabilities with and without distance and energy constraints, trajectory orthogonal projections, RMS distance distributions, and transition probability matrices) at seven different collision energies as well as stationary points as a function of time for selected trajectories. See DOI: 10.1039/c8cp06207bOlasz, Balázs / Czakó, Gábor et al. | 2019
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Uncovering the role of the stationary points in the dynamics of the F− + CH3I reactionOlasz, Baláz / Czakó, Gábor et al. | 2019
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Radiative cooling of cationic carbon clusters, CN+, N = 8, 10, 13–16Chen, F.-Q. / Kono, N. / Suzuki, R. et al. | 2019
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A DFT study of direct furfural conversion to 2-methylfuran on the Ru/Co3O4 surfaceDong, He / Zheng, Ying / Hu, P. et al. | 2019
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A DFT study of direct furfural conversion to 2-methylfuran on the Ru/Co3O4 surfaceElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06545dDong, He / Zheng, Ying / Hu, P. et al. | 2019
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VC2 and V1/2Mn1/2C2 nanosheets with robust mechanical and thermal properties as promising materials for Li-ion batteriesZhang, Bingwen / Zhang, Weiyi / Meng, Qiangqiang et al. | 2019
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VC2 and V1/2Mn1/2C2 nanosheets with robust mechanical and thermal properties as promising materials for Li-ion batteriesElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06487cZhang, Bingwen / Zhang, Weiyi / Meng, Qiangqiang et al. | 2019
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On the kinetics of the removal of ligands from films of colloidal nanocrystals by plasmasShaw, Santosh / Silva, Tiago F. / Mohapatra, Pratyasha et al. | 2019
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On the kinetics of the removal of ligands from films of colloidal nanocrystals by plasmasElectronic supplementary information (ESI) available. See DOI: 10.1039/c8cp06890aShaw, Santosh / Silva, Tiago F. / Mohapatra, Pratyasha et al. | 2019
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Correction: The stability and unexpected chemistry of oxide clustersYu, Xiaohu / Oganov, Artem R. / Zhu, Qiang et al. | 2019
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Inside back cover| 2019
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Back cover| 2019