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
- 633
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Simulated photoelectron intensities at the aqueous solution-air interface for flat and cylindrical (microjet) geometriesElectronic supplementary information (ESI) available: Table ESI-1, Fig. ESI-1-ESI-4, and details of the simulation of electron spectra for surface analysis (SESSA) and molecular dynamics (MD) simulations. See DOI: 10.1039/c6cp07539hOlivieri, Giorgia et al. | 2017
- 646
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Stripping off hydrogens in imidazole triggered by the attachment of a single electronElectronic supplementary information (ESI) available: Reaction enthalpies for DEA to imidazole using a complete basis set method CBS-QB3. See DOI: 10.1039/c6cp08773fRibar, A et al. | 2017
- 647
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The dynamic mechanism of RASSF5 and MST kinase activation by RasElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08596bLiao, Tsung-Jen et al. | 2017
- 6508
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Determination of the positions of aluminum atoms introduced into SSZ-35 and the catalytic properties of the generated Brønsted acid sitesMiyaji, Akimitsu / Kimura, Nobuhiro / Shiga, Akinobu et al. | 2017
- 6601
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Presence of Peierls pairing and absence of insulator-to-metal transition in VO2 (A): a structure–property relationship studyPopuri, S. R. / Artemenko, A. / Decourt, R. et al. | 2017
- 661
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The effect of varying solvents for MoS2 treatment on its catalytic efficiencies for HER and ORRElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08205jChua, Xing Juan et al. | 2017
- 662
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Jones oxidation of glycerol catalysed by small gold clustersElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07941ePembere, Anthony M et al. | 2017
- 6807
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Ultrafast photochemistry of the bc1 complexVos, Marten H. / Reeder, Brandon J. / Daldal, Fevzi et al. | 2017
- 6295
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Front cover| 2017
- 6296
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Inside front cover| 2017
- 6297
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Contents list| 2017
- 6313
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Metal-oxide-semiconductor based gas sensors: screening, preparation, and integrationZhang, Jian / Qin, Ziyu / Zeng, Dawen et al. | 2017
- 6330
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Simulated photoelectron intensities at the aqueous solution–air interface for flat and cylindrical (microjet) geometriesOlivieri, Giorgia / Parry, Krista M. / Powell, Cedric J. et al. | 2017
- 6334
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Dynamical descriptors of bioactivity: a correlation between chemical durability and ion migration in biodegradable glassesElectronic supplementary information (ESI) available: Computational details and potential parameters; and structural data of the glass models. See DOI: 10.1039/c6cp07203hTilocca, Antonio et al. | 2017
- 6334
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Dynamical descriptors of bioactivity: a correlation between chemical durability and ion migration in biodegradable glassesTilocca, Antonio et al. | 2017
- 6338
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Nano-sized graphene flakes: insights from experimental synthesis and first principles calculationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08354dLin, Pin-Chun et al. | 2017
- 6338
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Nano-sized graphene flakes: insights from experimental synthesis and first principles calculationsLin, Pin-Chun / Chen, Yi-Rui / Hsu, Kuei-Ting et al. | 2017
- 6345
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TMAO and urea in the hydration shell of the protein SNaseSmolin, Nikolai / Voloshin, Vladimir P. / Anikeenko, Alexey V. et al. | 2017
- 6358
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Ligand-dependent exciton dynamics and photovoltaic properties of PbS quantum dot heterojunction solar cellsChang, Jin / Ogomi, Yuhei / Ding, Chao et al. | 2017
- 6358
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Ligand-dependent exciton dynamics and photovoltaic properties of PbS quantum dot heterojunction solar cellsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp06561aChang, Jin et al. | 2017
- 6368
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Unraveling the structure and exciton coupling for multichromophoric merocyanine dye moleculesKoch, Federico / Stolte, Matthia / Zitzler-Kunkel, André et al. | 2017
- 6368
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Unraveling the structure and exciton coupling for multichromophoric merocyanine dye moleculesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00115kKoch, Federico et al. | 2017
- 6379
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Space charge storage in composites: thermodynamicsChen, Chia-Chin et al. | 2017
- 6397
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Mechanistic insights on the electronic properties and electronic/atomic structure aspects in orthorhombic SrVO3 thin films: XANES–EXAFS studySharma, Aditya / Varshney, Mayora / Cheol Lim, Weon et al. | 2017
- 6406
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Stripping off hydrogens in imidazole triggered by the attachment of a single electronRibar, A. / Fink, K. / Li, Z. et al. | 2017
- 6416
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Connectivity dependence of Fano resonances in single moleculesIsmael, Ali K. / Grace, Iain / Lambert, Colin J. et al. | 2017
- 6422
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Observation of covalent and electrostatic bonds in nitrogen-containing polycyclic ions formed by gas phase reactions of the benzene radical cation with pyrimidineAttah, Isaac Kwame / Soliman, Abdel-Rahman / Platt, Sean P. et al. | 2017
- 6422
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Observation of covalent and electrostatic bonds in nitrogen-containing polycyclic ions formed by gas phase reactions of the benzene radical cation with pyrimidineElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08731kAttah, Isaac Kwame et al. | 2017
- 6433
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Physicochemical and tribophysical properties of trioctylalkylammonium bis(salicylato)borate (N888n-BScB) ionic liquids: effect of alkyl chain lengthElectronic supplementary information (ESI) available: NMR, FTIR and thermal degradation patterns of ionic liquids, storage and loss moduli of ionic liquids, reduction of friction and wear as a function of alkyl chain of ionic liquids, microscopic (FESEM) images of worn steel disc lubricated with ionic liquids. See DOI: 10.1039/c6cp05990bGusain, Rashi et al. | 2017
- 6433
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Physicochemical and tribophysical properties of trioctylalkylammonium bis(salicylato)borate (N888n-BScB) ionic liquids: effect of alkyl chain lengthGusain, Rashi / Bakshi, Paramjeet S. / Panda, Somenath et al. | 2017
- 6443
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Modeling excitation energy transfer in multi-BODIPY architecturesElectronic supplementary information (ESI) available: Spectral overlap in 1a-H+; nomenclature of the fragments; different models used to compute EET in 1a; rotational analysis in 1a; the effect of the counter-ion in 1a-H+; orientation of the bipy terminal groups in 1b; rotational analysis in 3; optimized structures of 3, 4 and 5; additional data for structures designed from 3; additional data for structures designed from 4; additional data for structures designed from 5; the choice of designed compounds with a link at the β position; additional data for structures 6 and 7. See DOI: 10.1039/c7cp00427cAzarias, Cloé et al. | 2017
- 6443
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Modeling excitation energy transfer in multi-BODIPY architecturesAzarias, Cloé / Russo, Roberto / Cupellini, Lorenzo et al. | 2017
- 6454
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Electronic spectroscopy of ethyl bromide probed by VUV photoabsorption and quantum chemical calculationsShastri, Aparna / Singh, Param Jeet / Krishnakumar, Sunanda et al. | 2017
- 6454
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Electronic spectroscopy of ethyl bromide probed by VUV photoabsorption and quantum chemical calculationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07330aShastri, Aparna et al. | 2017
- 6470
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The dynamic mechanism of RASSF5 and MST kinase activation by RasLiao, Tsung-Jen / Jang, Hyunbum / Tsai, Chung-Jung et al. | 2017
- 6481
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Influence of magnetic ordering and Jahn–Teller distortion on the lithiation process of LiMn2O4Liu, Wei-Wei / Wang, Da / Wang, Zhifan et al. | 2017
- 6481
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Influence of magnetic ordering and Jahn-Teller distortion on the lithiation process of LiMn2O4Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08324bLiu, Wei-Wei et al. | 2017
- 6487
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Picosecond activation of the DEACM photocage unravelled by VIS-pump-IR-probe spectroscopyvan Wilderen, L. J. G. W. / Neumann, C. / Rodrigues-Correia, A. et al. | 2017
- 6487
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Picosecond activation of the DEACM photocage unravelled by VIS-pump-IR-probe spectroscopyElectronic supplementary information (ESI) available: An in-depth discussion of the vibrational assignments to hydrazoic acid53-59 and CO260-63 is presented. The full FTIR and their light-induced difference spectra are shown in Fig. S1 in addition to the results of DFT computations (Fig. S2). Reproductions of Fig. 2 and 3 with a linear ordinate scale and containing all collected spectral windows are shown in Fig. S3 and S4. Fig. S5 depicts the residuals of the applied global analysis and Fig. S6 the time traces of the excited state carbonyl feature. Fig. S7 shows the ultrafast data in the azide region corrected with a linear baseline. Fig. S8 presents a zoom of the SADS of the high-wavenumber carbonyl photoproduct revealed by global analysis. In addition, the FTIR and visible spectra of CM-N3 are compared to those of CM-OH and CM-aldehyde (Fig. S9). The FTIR data of CM-aldehyde are also shown in different solvent mixtures (Fig. S10). Finally, a detailed synthesis procedure64,65 and compound characterization are given (Fig. S11 and S12). See DOI: 10.1039/c6cp07022avan Wilderen, L. J. G. W et al. | 2017
- 6497
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The properties and behavior of a-pinene secondary organic aerosol particles exposed to ammonia under dry conditionsBell, D. / Imre, D. / T.Martin, S. et al. | 2017
- 6497
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The properties and behavior of α-pinene secondary organic aerosol particles exposed to ammonia under dry conditionsBell, David M. / Imre, Dan / T. Martin, Scot et al. | 2017
- 6508
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Determination of the positions of aluminum atoms introduced into SSZ-35 and the catalytic properties of the generated Bronsted acid sitesMiyaji, A. / Kimura, N. / Shiga, A. et al. | 2017
- 6519
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Chemical memory with states coded in light controlled oscillations of interacting Belousov–Zhabotinsky dropletsGizynski, Konrad / Gorecki, Jerzy et al. | 2017
- 6532
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Characterization of the temperature and humidity-dependent phase diagram of amorphous nanoscale organic aerosolsRothfuss, Nicholas E. / Petters, Markus D. et al. | 2017
- 6532
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Characterization of the temperature and humidity-dependent phase diagram of amorphous nanoscale organic aerosolsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08593hRothfuss, Nicholas E et al. | 2017
- 6546
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Interfacial electronic structures revealed at the rubrene/CH3NH3PbI3 interfaceJi, Gengwu / Zheng, Guanhaojie / Zhao, Bin et al. | 2017
- 6554
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Lateral and flexural phonon thermal transport in graphene and stanene bilayersHong, Yang / Zhu, Chongqin / Ju, Minggang et al. | 2017
- 6563
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Strain enhanced lithium adsorption and diffusion on siliceneWang, Xiao / Luo, Youhua / Yan, Ting et al. | 2017
- 6569
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Co2SnO4 nanoparticles as a high performance catalyst for oxidative degradation of rhodamine B dye and pentachlorophenol by activation of peroxymonosulfateAli, Monaam Ben / Barras, Alexandre / Addad, Ahmed et al. | 2017
- 6569
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Co2SnO4 nanoparticles as a high performance catalyst for oxidative degradation of rhodamine B dye and pentachlorophenol by activation of peroxymonosulfateElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08576hAli, Monaam Ben et al. | 2017
- 6579
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Fast and slow excited-state intramolecular proton transfer in 3-hydroxychromone: a two-state story?Perveaux, Aurelie / Lorphelin, Maxime / Lasorne, Benjamin et al. | 2017
- 6579
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Fast and slow excited-state intramolecular proton transfer in 3-hydroxychromone: a two-state story?Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cp06603hPerveaux, Aurelie et al. | 2017
- 6594
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Ionic conductivity and mixed-ion effect in mixed alkali metaphosphate glassesTsuchida, Jefferson Esquina / Ferri, Fabio Aparecido / Pizani, Paulo Sergio et al. | 2017
- 6610
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The effect of varying solvents for MoS2 treatment on its catalytic efficiencies for HER and ORRChua, Xing Juan / Pumera, Martin et al. | 2017
- 6620
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Jones oxidation of glycerol catalysed by small gold clustersPembere, Anthony M. / Luo, Zhixun et al. | 2017
- 6626
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Intra-molecular interactions dominating the dehydration of a poly(2-isopropyl-2-oxazoline)-based densely grafted polymer comb in aqueous solution and hysteretic liquid–liquid phase separationZhou, Yuanyuan / Tang, Hui / Wu, Peiyi et al. | 2017
- 6626
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Intra-molecular interactions dominating the dehydration of a poly(2-isopropyl-2-oxazoline)-based densely grafted polymer comb in aqueous solution and hysteretic liquid-liquid phase separationElectronic supplementary information (ESI) available: Other characterizations of comb-PiPOx and linear-PiPOx aqueous solutions together with the rules for analyzing PCMW and 2Dcos contour maps. See DOI: 10.1039/c6cp08574aZhou, Yuanyuan et al. | 2017
- 6636
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Exploring the interaction of phenothiazinium dyes methylene blue, new methylene blue, azure A and azure B with tRNAPhe: spectroscopic, thermodynamic, voltammetric and molecular modeling approachPaul, Puja / Mati, Soumya Sundar / Bhattacharya, Subhash Chandra et al. | 2017
- 6636
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Exploring the interaction of phenothiazinium dyes methylene blue, new methylene blue, azure A and azure B with tRNAPhe: spectroscopic, thermodynamic, voltammetric and molecular modeling approachElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07888ePaul, Puja et al. | 2017
- 6654
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Vibrational intensities in the mobile block Hessian approximationElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07498gTerrett, Richard et al. | 2017
- 6654
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Vibrational intensities in the mobile block Hessian approximationTerrett, Richard / Stranger, Rob / Frankcombe, Terry et al. | 2017
- 6665
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A nonmonotonic dependence of the contact angles on the surface polarity for a model solid surfaceQi, Chonghai / Zhou, Bo / Wang, Chunlei et al. | 2017
- 6671
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Pressure-driven phase transition mechanisms revealed by quantum chemistry: l-serine polymorphsRychkov, Denis A. / Stare, Jernej / Boldyreva, Elena V. et al. | 2017
- 6671
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Pressure-driven phase transition mechanisms revealed by quantum chemistry: l-serine polymorphsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07721hRychkov, Denis A et al. | 2017
- 6677
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The dehydrogenation mechanism during the incubation period in nanocrystalline MgH2Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07926aShantilal Gangrade, Apurva et al. | 2017
- 6677
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The dehydrogenation mechanism during the incubation period in nanocrystalline MgH2Shantilal Gangrade, Apurva / Aditya Varma, Akhil / Kishor Gor, Nikhil et al. | 2017
- 6688
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Synthesis and EPR-spectroscopic characterization of the perchlorotriarylmethyl tricarboxylic acid radical (PTMTC) and its 13C labelled analogue (13C-PTMTC)Electronic supplementary information (ESI) available: Syntheses; ratio of peak-to-peak intensities of central 12C line and 13C doublet lines; dependence of 1/TM relaxation rate on water/methanol compositions, influence of temperature on 13C-PTMTC line width; ascorbic acid reduction assay. See DOI: 10.1039/c6cp07200cElewa, Marwa et al. | 2017
- 6688
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Synthesis and EPR-spectroscopic characterization of the perchlorotriarylmethyl tricarboxylic acid radical (PTMTC) and its 13C labelled analogue (13C-PTMTC)Elewa, Marwa / Maltar-Strmečki, Nadica / Said, Mohamed M. et al. | 2017
- 6698
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Super high-energy density single-bonded trigonal nitrogen allotrope—a chemical twin of the cubic gauche form of nitrogenBondarchuk, Sergey V. / Minaev, Boris F. et al. | 2017
- 6707
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Ordering kinetics of lamella-forming block copolymers under the guidance of various external fields studied by dynamic self-consistent field theoryWan, Xiaomin / Gao, Tong / Zhang, Liangshun et al. | 2017
- 6721
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Tuning the ambipolar charge transport properties of tricyanovinyl-substituted carbazole-based materialsReig, Marta / Bagdziunas, Gintauta / Volyniuk, Dmytro et al. | 2017
- 6731
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The vertical location of α-tocopherol in phosphatidylcholine membranes is not altered as a function of the degree of unsaturation of the fatty acyl chainsAusili, Alessio / de Godos, Ana M. / Torrecillas, Alejandro et al. | 2017
- 6731
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The vertical location of a-tocopherol in phosphatidylcholine membranes is not altered as a function of the degree of unsaturation of the fatty acyl chainsAusili, A. / deGodos, A. / Torrecillas, A. et al. | 2017
- 6743
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A computational assessment of the electronic, thermoelectric, and defect properties of bournonite (CuPbSbS3) and related substitutionsFaghaninia, Alireza / Yu, Guodong / Aydemir, Umut et al. | 2017
- 6743
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A computational assessment of the electronic, thermoelectric, and defect properties of bournonite (CuPbSbS3) and related substitutionsElectronic supplementary information (ESI) available: .PDF file: figures: band structures with orbital projections and spin orbit coupling and band gap statistics, defects plots + detailed plots for tracking individual properties/material and more. .xlxs file: containing complete data for all the substitutions and their lattice constants, band gap, E above hull, transport properties calculated by BoltzTraP and AMSET and their corresponding doping level and temperature, calculated coordination numbers, list of compounds for which DFT band gap is zero. See DOI: 10.1039/c7cp00437kFaghaninia, Alireza et al. | 2017
- 6757
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The dynamic conductance response and mechanics-modulated memristive behavior of the Azurin monolayer under cyclic loadsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08044hZhang, Xiaoyue et al. | 2017
- 6757
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The dynamic conductance response and mechanics-modulated memristive behavior of the Azurin monolayer under cyclic loadsZhang, Xiaoyue / Shao, Jian / Chen, Yun et al. | 2017
- 6768
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Molecular and thin film properties of cobalt half-sandwich compounds for optoelectronic applicationReinhardt, Maxwell / Dalgleish, Simon / Shuku, Yoshiaki et al. | 2017
- 6768
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Molecular and thin film properties of cobalt half-sandwich compounds for optoelectronic applicationElectronic supplementary information (ESI) available: Further details on (i) synthesis, (ii) molecular characterisation, (iii) thin film morphology, and (iv) device measurements. CCDC 1521229. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6cp08685cReinhardt, Maxwell et al. | 2017
- 6777
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Determination of the equilibrium constant of C60 fullerene binding with drug moleculesMosunov, Andrei A. / Pashkova, Irina S. / Sidorova, Maria et al. | 2017
- 6785
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Cavitation clusters in lipid systems – surface effects, local heating and streamer formationBirkin, P. R. / Foley, T. M. / Truscott, T. T. et al. | 2017
- 6785
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Cavitation clusters in lipid systems - surface effects, local heating and streamer formationElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08149eBirkin, P. R et al. | 2017
- 6792
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Mesoscopic behaviour of multi-layered graphene: the meaning of supercapacitance revisitedGutierrez, Fabiana A. / Bedatty Fernandes, Flavio C. / Rivas, Gustavo A. et al. | 2017
- 6814
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Diffusive confinement of free radical intermediates in the OH radical oxidation of semisolid aerosolsWiegel, Aaron A. / Liu, Matthew J. / Hinsberg, William D. et al. | 2017
- 6831
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Implicating the contributions of surface and bulk states on carrier trapping and photocurrent performance of BiVO4 photoanodesPattengale, B. / Huang, J. et al. | 2017
- 6831
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Implicating the contributions of surface and bulk states on carrier trapping and photocurrent performance of BiVO4 photoanodesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08564dPattengale, B et al. | 2017
- 6838
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Competition between excluded-volume and electrostatic interactions for nanogel swelling: effects of the counterion valence and nanogel chargeAdroher-Benítez, Irene / Martín-Molina, Alberto / Ahualli, Silvia et al. | 2017
- 6849
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Theoretical study of HCN–water interaction: five dimensional potential energy surfacesSánchez, Ernesto Quinta / Dubernet, Marie-Lise et al. | 2017
- 6861
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New insights into the electroreduction of ethylene sulfite as an electrolyte additive for facilitating solid electrolyte interphase formation in lithium ion batteriesSun, Youmin / Wang, Yixuan et al. | 2017
- 6871
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Spin-polarized transport in graphene nanoribbons with Rashba spin–orbit interaction: the effects of spatial symmetryZhang, Qingtian / Chan, K. S. / Li, Jingbo et al. | 2017
- 6878
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Optical, electrical and magnetic properties of lanthanum strontium manganite La1−xSrxMnO3 synthesized through the citrate combustion methodElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07333fTurky, Ali Omar et al. | 2017
- 6878
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Optical, electrical and magnetic properties of lanthanum strontium manganite La1−xSrxMnO3 synthesized through the citrate combustion methodTurky, Ali Omar / Rashad, Mohamed Mohamed / Hassan, Ali Mostafa et al. | 2017
- 6887
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Correction: Charge transport mechanisms in sol–gel grown La0.7Pb0.3MnO3/LaAlO3 manganite filmsVaghela, Eesh / Keshvani, M. J. / Gadani, Keval et al. | 2017
- 6889
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Back cover| 2017
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Ordering kinetics of lamella-forming block copolymers under the guidance of various external fields studied by dynamic self-consistent field theoryElectronic supplementary information (ESI) available: Defect analysis of lamellar nanostructures, the effect of the Flory-Huggins interaction parameter, morphological evolution of undulated lamellae, zone-annealed block copolymers at an extremely slow sweep velocity, dislocation dipoles in the presence of zone annealing, the effect of initial configurations, and the effect of tilt angles and block copolymers guided by extremely sparse stripes. See DOI: 10.1039/c6cp08726dWan, Xiaomin et al. | 2017
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Diffusive confinement of free radical intermediates in the OH radical oxidation of semisolid aerosolsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00696aWiegel, Aaron A et al. | 2017
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New insights into the electroreduction of ethylene sulfite as an electrolyte additive for facilitating solid electrolyte interphase formation in lithium ion batteriesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07646gSun, Youmin et al. | 2017
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Tuning the ambipolar charge transport properties of tricyanovinyl-substituted carbazole-based materialsElectronic supplementary information (ESI) available: Crystallographic data, TGA and DSC curves, cyclic voltammograms, TOF characteristics and theoretical calculation data. CCDC 1517414 and 1517415. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6cp08078bReig, Marta et al. | 2017
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Mesoscopic behaviour of multi-layered graphene: the meaning of supercapacitance revisitedElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07775gGutierrez, Fabiana A et al. | 2017
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Super high-energy density single-bonded trigonal nitrogen allotrope-a chemical twin of the cubic gauche form of nitrogenElectronic supplementary information (ESI) available: Crystal packing, graphical description of the vibrational modes, optical and thermodynamic properties, and also elastic stiffness and compliance constants. See DOI: 10.1039/c6cp08723jBondarchuk, Sergey V et al. | 2017
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Mechanistic insights on the electronic properties and electronic/atomic structure aspects in orthorhombic SrVO3 thin films: XANES-EXAFS studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08301cSharma, Aditya et al. | 2017