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
- 17
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New insights into the solubility of graphene oxide in water and alcoholsElectronic supplementary information (ESI) available: Tables with data of topological and structural parameters of hydrogen bonds. See DOI: 10.1039/c7cp02303kNeklyudov, Vadim V et al. | 2017
- 173
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Magnetic circular dichroism of UCl6− in the ligand-to-metal charge-transfer spectral regionElectronic supplementary information (ESI) available: Additional information and data regarding the experimental MCD and EPR spectra, the calculated energies of the LF states and 6d states, and plots of MCD calculations. CCDC 1544486. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7cp02572fGendron, Frédéric et al. | 2017
- 179
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Lead(ii) soaps: crystal structures, polymorphism, and solid and liquid mesophasesElectronic supplementary information (ESI) available: Thermal data (transition temperatures, enthalpies and entropies, from DSC), Rietveld refinement fittings, FTIR data, ssNMR data (C-13 and Pb-207), and electric spectroscopy data. Crystallographic information files (16 in total) of Pb(C8)2 (CCDC-1473674, at 100 K), Pb(C9)2 polymorph A (CCDC-1473675, at 298 K), Pb(C10)2 polymorph A (CCDC-1473676, at 298 K), solved by SCXRD, and Pb(C8)2 (CCDC-1473677, at 298 K), Pb(C9)2 polymorph A (CCDC-1473795, at 298 K), Pb(C9)2 polymorph B (CCDC-1473796, at 298 K), Pb(C10)2 polymorph A (CCDC-1473684, at 298 K), Pb(C10)2 polymorph B (CCDC-1473685, at 298 K), Pb(C11)2 (CCDC-1473797, at 298 K), Pb(C12)2 (CCDC-1473683, at 298 K), Pb(C13)2 (CCDC-1473686, at 298 K), Pb(C14)2 (CCDC-1473687, at 298 K), Pb(C15)2 (CCDC-1473688, at 298 K), Pb(C16)2 (CCDC-1473689, at 298 K), Pb(C17)2 (CCDC-1473690, at 298 K), and Pb(C18)2 (CCDC-1473691, at 298 K), solved by HRPD. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7cp02351kMartínez-Casado, F. J et al. | 2017
- 1696
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Interfacial memristors in Al-LaNiO3 heterostructuresElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02398gTian, Bobo et al. | 2017
- 17180
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Thermal stability and thermal conductivity of phosphorene in phosphorene/graphene van der Waals heterostructuresPei, Qing-Xiang / Zhang, Xiaoliang / Ding, Zhiwei et al. | 2017
- 1719
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Balanced work function as a driver for facile hydrogen evolution reaction - comprehension and experimental assessment of interfacial catalytic descriptorElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03081aZeradjanin, Aleksandar R et al. | 2017
- 1721
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The electronic transport properties of zigzag phosphorene-like MX (M = Ge/Sn, X = S/Se) nanostructuresElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02201hZhang, Mengjun et al. | 2017
- 17250
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Electrical and optical behaviors of SiC(GeC)/MoS2 heterostructures: a first principles studyRao, Yong-Chao / Yu, Song / Duan, Xiang-Mei et al. | 2017
- 1727
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Electrospun graphene-wrapped Na6.24Fe4.88(P2O7)4 nanofibers as a high-performance cathode for sodium-ion batteriesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02483eNiu, Yubin et al. | 2017
- 1728
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Laser photolysis studies of ω-bond dissociation in aromatic carbonyls with a C-C triple bond stimulated by triplet sensitizationElectronic supplementary information (ESI) available: Preparation processes and NMR data for compounds 2-4@X, quenching data for triplet energy transfer, results of DFT calculation for heats of formation. See DOI: 10.1039/c7cp02758cYamaji, Minoru et al. | 2017
- 1736
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Monitoring aggregation of a pH-responsive polymer via proton exchangeElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02013aChakraborty, Ipsita et al. | 2017
- 1736
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Aqueous dispersions of nanostructures formed through the self-assembly of iminolipids with exchangeable hydrophobic terminiElectronic supplementary information (ESI) available: All synthetic procedures and compound characterisation; TEM, SEM, DSC, DLS and NMR characterisation of self-assembled structures. See DOI: 10.1039/c7cp02868gLi, Wen et al. | 2017
- 1744
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Efficient scavenging of Criegee intermediates on water by surface-active cis-pinonic acidElectronic supplementary information (ESI) available: Additional experimental data. See DOI: 10.1039/c7cp03869kEnami, Shinichi et al. | 2017
- 1752
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Charge-transfer and impulsive electronic-to-vibrational energy conversion in ferricyanide: ultrafast photoelectron and transient infrared studiesElectronic supplementary information (ESI) available: Linear absorption spectra, decay-associated spectra, pump-power dependence. See DOI: 10.1039/c7cp03337kOjeda, José et al. | 2017
- 17063
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Understanding the remarkable luminescence enhancement via SiO2 coating on TiO2:Eu3+ nanofibersChang, Meiqi / Song, Yanhua / Sheng, Ye et al. | 2017
- 1775
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Molecular interactions and thermal transport in ionic liquids with carbon nanomaterialsElectronic supplementary information (ESI) available: Additional figures and tables concerning the development of the interaction potential and the simulation results. See DOI: 10.1039/c7cp01952aFrança, João M. P et al. | 2017
- 1788
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Does H4SO5 exist?Electronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01328kMurillo, Fernando et al. | 2017
- 16937
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Front cover| 2017
- 16938
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Inside front cover| 2017
- 16939
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Contents list| 2017
- 16955
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Non-isothermal kinetics of spin crossoverElectronic supplementary information (ESI) available: Magnetic data and details of estimating activation energies. See DOI: 10.1039/c7cp03442cBushuev, Mark B et al. | 2017
- 16955
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Non-isothermal kinetics of spin crossoverBushuev, Mark B. / Nikolaenkova, Elena B. / Krivopalov, Viktor P. et al. | 2017
- 16960
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Interfacial memristors in Al–LaNiO3 heterostructuresTian, Bobo / Nukala, Pavan / Hassine, Mohamed Ben et al. | 2017
- 16969
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B-DNA model systems in non-terran bio-solvents: implications for structure, stability and replicationHamlin, Trevor A. / Poater, Jordi / Fonseca Guerra, Célia et al. | 2017
- 16969
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B-DNA model systems in non-terran bio-solvents: implications for structure, stability and replicationElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01908dHamlin, Trevor A et al. | 2017
- 16979
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Red luminescence control of Eu(iii) complexes by utilizing the multi-colored electrochromism of viologen derivativesKanazawa, Kenji / Komiya, Yuta / Nakamura, Kazuki et al. | 2017
- 16979
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Red luminescence control of Eu(iii) complexes by utilizing the multi-colored electrochromism of viologen derivativesElectronic supplementary information (ESI) available: Detailed 1H NMR and IR spectra of HVP2+, photoluminescence spectra of Eu(hfac)3(TPPO)2, UV-vis absorption spectra of EC molecules, and estimation of coloration efficiencies of HV2+, HVP2+, and DNP2+. See DOI: 10.1039/c6cp08528hKanazawa, Kenji et al. | 2017
- 16989
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Investigation of plasmon resonance in metal/dielectric nanocavities for high-efficiency photocatalytic deviceElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03212aRajput, Nitul S et al. | 2017
- 16989
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Investigation of plasmon resonance in metal/dielectric nanocavities for high-efficiency photocatalytic deviceRajput, Nitul S. / Shao-Horn, Yang / Li, Xin-Hao et al. | 2017
- 17000
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New insights into the solubility of graphene oxide in water and alcoholsNeklyudov, Vadim V. / Khafizov, Nail R. / Sedov, Igor A. et al. | 2017
- 17009
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Lead(ii) soaps: crystal structures, polymorphism, and solid and liquid mesophasesMartínez-Casado, F. J. / Ramos-Riesco, M. / Rodríguez-Cheda, J. A. et al. | 2017
- 17019
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Balanced work function as a driver for facile hydrogen evolution reaction – comprehension and experimental assessment of interfacial catalytic descriptorZeradjanin, Aleksandar R. / Vimalanandan, Ashokanand / Polymeros, George et al. | 2017
- 17028
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Laser photolysis studies of ω-bond dissociation in aromatic carbonyls with a C–C triple bond stimulated by triplet sensitizationYamaji, Minoru / Horimoto, Ami / Marciniak, Bronislaw et al. | 2017
- 17036
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Aqueous dispersions of nanostructures formed through the self-assembly of iminolipids with exchangeable hydrophobic terminiLi, Wen / McManus, Daryl / Liu, Han et al. | 2017
- 17044
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Efficient scavenging of Criegee intermediates on water by surface-active cis-pinonic acidEnami, Shinichi / Colussi, A. J. et al. | 2017
- 17052
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Charge-transfer and impulsive electronic-to-vibrational energy conversion in ferricyanide: ultrafast photoelectron and transient infrared studiesOjeda, José / Arrell, Christopher A. / Longetti, Luca et al. | 2017
- 17075
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Molecular interactions and thermal transport in ionic liquids with carbon nanomaterialsFrança, João M. P. / Nieto de Castro, Carlos A. / Pádua, Agílio A. H. et al. | 2017
- 17088
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Does H4SO5 exist?Murillo, Fernando / Vargas-Caamal, Alba / Pan, Sudip et al. | 2017
- 17094
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WatAA: Atlas of Protein Hydration. Exploring synergies between data mining and ab initio calculationsČerný, Jiří / Schneider, Bohdan / Biedermannová, Lada et al. | 2017
- 17103
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Reline aqueous solutions behaving as liquid mixtures of H-bonded co-solvents: microphase segregation and formation of co-continuous structures as indicated by Brillouin and 1H NMR spectroscopiesPosada, E. / López-Salas, N. / Jiménez Riobóo, R. J. et al. | 2017
- 17111
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Cross-impact of surface and interaction anisotropy in the self-assembly of organic adsorption monolayers: a Monte Carlo and transfer-matrix studyGorbunov, V. A. / Akimenko, S. S. / Myshlyavtsev, A. V. et al. | 2017
- 17121
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The maximum predicted content of cation vacancies in inorganic and organic–inorganic perovskites: the role of the tolerance factorJi, D. H. / Wang, S. L. / Ge, X. Z. et al. | 2017
- 17128
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Unifying the microscopic picture of His-containing turns: from gas phase model peptides to crystallized proteinsSohn, Woon Yong / Habka, Sana / Gloaguen, Eric et al. | 2017
- 17128
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Unifying the microscopic picture of His-containing turns: from gas phase model peptides to crystallized proteinsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03058dSohn, Woon Yong et al. | 2017
- 17143
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Thermally induced conformational changes and protein–protein interactions of bovine serum albumin in aqueous solution under different pH and ionic strengths as revealed by SAXS measurementsMolodenskiy, Dmitry / Shirshin, Evgeny / Tikhonova, Tatiana et al. | 2017
- 17143
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Thermally induced conformational changes and protein-protein interactions of bovine serum albumin in aqueous solution under different pH and ionic strengths as revealed by SAXS measurementsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08809kMolodenskiy, Dmitry et al. | 2017
- 17156
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Excited state characterization of carbonyl containing carotenoids: a comparison between single and multireference descriptionsSpezia, Riccardo / Knecht, Stefan / Mennucci, Benedetta et al. | 2017
- 17156
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Excited state characterization of carbonyl containing carotenoids: a comparison between single and multireference descriptionsElectronic supplementary information (ESI) available: Vibrational frequencies, xyz structures for astaxanthin, fucoxanthin, capsanthin and capsorubin as well as vertical electronic transitions obtained with several functionals and comparison between the old and new DFT/MRCI parametrization. See DOI: 10.1039/c7cp02941aSpezia, Riccardo et al. | 2017
- 17167
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Adaptive liquid flow behavior in 3D nanoporesLi, Mingzhe / Lu, Weiyi et al. | 2017
- 17167
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Adaptive liquid flow behavior in 3D nanoporesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02981kLi, Mingzhe et al. | 2017
- 17173
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Adsorption versus aggregation of NIPAM nanogels: new insight into their behaviour at the air/water interface as a function of concentrationZielińska, Katarzyna / Campbell, Richard A. / Zarbakhsh, Ali et al. | 2017
- 17173
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Adsorption versus aggregation of NIPAM nanogels: new insight into their behaviour at the air/water interface as a function of concentrationElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02979aZieli ska, Katarzyna et al. | 2017
- 17187
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Observing the real time formation of phosphine-ligated gold clusters by electrospray ionization mass spectrometryElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01402cLigare, Marshall R et al. | 2017
- 17187
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Observing the real time formation of phosphine-ligated gold clusters by electrospray ionization mass spectrometryLigare, Marshall R. / Johnson, Grant E. / Laskin, Julia et al. | 2017
- 17199
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On the feasibility of reactions through the fullerene wall: a theoretical study of NHx@C60Dral, Pavlo O. / Clark, Timothy et al. | 2017
- 17210
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The electronic transport properties of zigzag phosphorene-like MX (M = Ge/Sn, X = S/Se) nanostructuresZhang, Mengjun / An, Yipeng / Sun, Yongqiang et al. | 2017
- 17216
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Probing single-molecule electron–hole transfer dynamics at a molecule–NiO semiconductor nanocrystalline interfaceDhital, Bharat / Rao, Vishal Govind / Lu, H. Peter et al. | 2017
- 17216
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Probing single-molecule electron-hole transfer dynamics at a molecule-NiO semiconductor nanocrystalline interfaceElectronic supplementary information (ESI) available: Additional experimental results including AFM images and steady state absorption and fluorescence emission spectra; and fluorescence intensity trajectories and lifetime of control experiments. See DOI: 10.1039/c7cp01476gDhital, Bharat et al. | 2017
- 17224
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Conformational landscape of the SF6 dimer as revealed by high resolution infrared spectroscopy and complexation with rare gas atomsAsselin, Pierre / Potapov, Alexey / Turner, Andrew C. et al. | 2017
- 17233
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Mechanisms of H and CO loss from the uracil nucleobase following low energy electron irradiationElectronic supplementary information (ESI) available: Additional information on the methodology and results, structures of transition states, and Cartesian coordinates. See DOI: 10.1039/c7cp01345kFennimore, Mark A et al. | 2017
- 17233
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Mechanisms of H and CO loss from the uracil nucleobase following low energy electron irradiationFennimore, Mark A. / Karsili, Tolga N. V. / Matsika, Spiridoula et al. | 2017
- 17242
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Monovalent and bivalent cations exchange isotherms for faujasites X and YKhabzina, Y. / Laroche, C. / Pagis, C. et al. | 2017
- 17242
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Monovalent and bivalent cations exchange isotherms for faujasites X and YElectronic supplementary information (ESI) available: Non-ideality calculation, localization of exchanged cations in faujasites X and Y, exchange isotherms, selectivity coefficients and predicted cationic distribution and number of cations per site group available. See DOI: 10.1039/c7cp02051aKhabzina, Y et al. | 2017
- 17256
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Detection of single metal nanoparticle collision events in non-aqueous mediaElectronic supplementary information (ESI) available: DLS measurements of colloidal Au NPs in toluene and in collision experiment electrolyte. Chronoamperogram of Pt UME in the absence of Au nanoparticles. Gaussian and lognormal fitting of current step distribution. TEM images of as-prepared Au NPs. See DOI: 10.1039/c7cp03042hMeekins, Benjamin H et al. | 2017
- 17256
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Detection of single metal nanoparticle collision events in non-aqueous mediaMeekins, Benjamin H. et al. | 2017
- 17263
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A combined optical and EPR spectroscopy study: azobenzene-based biradicals as reversible molecular photoswitchesJaumann, Eva A. / Steinwand, Sabrina / Klenik, Szabina et al. | 2017
- 17263
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A combined optical and EPR spectroscopy study: azobenzene-based biradicals as reversible molecular photoswitchesElectronic supplementary information (ESI) available: X-ray structure, quantum yields, fatigue resistance measurements, cw-EPR simulations, PELDOR original data, and simulations of Fourier spectra. CCDC 851945. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7cp02088kJaumann, Eva A et al. | 2017
- 17270
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Electrospun graphene-wrapped Na6.24Fe4.88(P2O7)4 nanofibers as a high-performance cathode for sodium-ion batteriesNiu, Yubin / Xu, Maowen / Dai, Chunlong et al. | 2017
- 17278
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Identifying the bottleneck of water oxidation by ab initio analysis of in situ optical absorbance spectrumYatom, Natav / Elbaz, Yuval / Navon, Shelly et al. | 2017
- 17278
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Identifying the bottleneck of water oxidation by ab initio analysis of in situ optical absorbance spectrumElectronic supplementary information (ESI) available: Input files and real and imaginary dielectric function matrix. See DOI: 10.1039/c7cp02404eYatom, Natav et al. | 2017
- 17287
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CO adsorption, oxidation and carbonate formation mechanisms on Fe3O4 surfacesYu, Xiaohu / Zhang, Xuemei / Jin, Lingxia et al. | 2017
- 17287
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CO adsorption, oxidation and carbonate formation mechanisms on Fe3O4 surfacesElectronic supplementary information (ESI) available: The computed less stable adsorption, oxidation and carbonate configurations of CO on both Fetet1 and Feoct2 of Fe3O4(111), both the A layer and the B layer of Fe3O4(110), and Fe3O4(001) B termination. See DOI: 10.1039/c7cp02760eYu, Xiaohu et al. | 2017
- 17300
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Magnetic circular dichroism of UCl6- in the ligand-to-metal charge-transfer spectral regionGendron, F. / Fleischauer, V. / Duignan, T. et al. | 2017
- 17314
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Novel tunable green-red-emitting oxynitride phosphors co-activated with Ce3+, Tb3+, and Eu3+: photoluminescence and energy transferHuo, Jiansheng / Dong, Langping / Lü, Wei et al. | 2017
- 17324
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Electronic properties of blue phosphorene/graphene and blue phosphorene/graphene-like gallium nitride heterostructuresSun, Minglei / Chou, Jyh-Pin / Yu, Jin et al. | 2017
- 17331
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Linear nonequilibrium thermodynamics of reversible periodic processes and chemical oscillationsHeimburg, Thomas et al. | 2017
- 17342
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A visible-light active TiO2 photocatalyst multilayered with WO3Jia, Junjun / Taniyama, Kenta / Imura, Masaaki et al. | 2017
- 17349
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Low temperature photoluminescence properties of CsPbBr3 quantum dots embedded in glassesAi, Bing / Liu, Chao / Deng, Zhao et al. | 2017
- 17356
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High cross-plane thermoelectric performance of metallo-porphyrin molecular junctionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02229hNoori, Mohammed et al. | 2017
- 17356
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High cross-plane thermoelectric performance of metallo-porphyrin molecular junctionsNoori, Mohammed / Sadeghi, Hatef / Al-Galiby, Qusiy et al. | 2017
- 17360
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Monitoring aggregation of a pH-responsive polymer via proton exchangeChakraborty, Ipsita / Mukherjee, Ishita / Haldar, Ujjal et al. | 2017
- 17366
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Difference in chemical bonding between lithium and sodium salts: influence of covalency on their solubilityElectronic supplementary information (ESI) available: Optimized structures of lithium and sodium salts, interionic distances, total and correlation electronic energies at CCSD(T) and MP2 levels of theory from full-core and frozen-core calculations, Geodesic net charge transfers and measured solubility data. See DOI: 10.1039/c7cp03009fChen, Su et al. | 2017
- 17366
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Difference in chemical bonding between lithium and sodium salts: influence of covalency on their solubilityChen, Su / Ishii, Jun / Horiuchi, Shunsuke et al. | 2017
- 17373
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An adaptive bias - hybrid MD/kMC algorithm for protein folding and aggregationElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03035ePeter, Emanuel K et al. | 2017
- 17373
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An adaptive bias – hybrid MD/kMC algorithm for protein folding and aggregationPeter, Emanuel K. / Shea, Joan-Emma et al. | 2017
- 17383
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Excitation-dependent local symmetry reversal in single host lattice Ba2A(BO3)2:Eu3+ [A = Mg and Ca] phosphors with tunable emission coloursElectronic supplementary information available: 11B MAS-NMR and FT-IR spectral analyses, PL excitation and emission spectra, and structural models. See DOI: 10.1039/c7cp02740kJayakiruba, S et al. | 2017
- 17383
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Excitation-dependent local symmetry reversal in single host lattice Ba2A(BO3)2:Eu3+ [A = Mg and Ca] phosphors with tunable emission coloursJayakiruba, S. / Chandrasekaran, S. Selva / Murugan, P. et al. | 2017
- 17396
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Competition between the H- and D-atom transfer channels in the H2O+ + HD reaction: reduced-dimensional quantum and quasi-classical studiesSong, Hongwei / Li, Anyang / Yang, Minghui et al. | 2017
- 17404
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Stabilization vs. destabilization of G-quadruplex superstructures: the role of the porphyrin derivative having spermine armsD'Urso, A. / Randazzo, R. / Rizzo, V. et al. | 2017
- 17411
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Prediction of 1H NMR chemical shifts for clusters of imidazolium-based ionic liquidsElectronic supplementary information (ESI) available: Averaged proton chemical shifts of single, two-, eight- and sixteen-ion paired clusters and statistical measures of the linear regression analysis. Absolute errors in proton chemical shifts of unique protons for each cation in 2, 8 and 16 ion-paired clusters. Cartesian coordinates of all optimized clusters discussed in the text. See DOI: 10.1039/c7cp02951aChen, Su et al. | 2017
- 17411
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Prediction of 1H NMR chemical shifts for clusters of imidazolium-based ionic liquidsChen, Su / Izgorodina, Ekaterina I. et al. | 2017
- 17426
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Elucidating sequence and solvent specific design targets to protect and stabilize enzymes for biocatalysis in ionic liquidsElectronic supplementary information (ESI) available: Includes additional characterization of binding sites and enzyme structure in IL solutions, explanations of discrepancies between simulations and experiments, and cation residence time calculations and results. See DOI: 10.1039/c7cp03013dSprenger, K. G et al. | 2017
- 17426
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Elucidating sequence and solvent specific design targets to protect and stabilize enzymes for biocatalysis in ionic liquidsSprenger, K. G. / Plaks, J. G. / Kaar, J. L. et al. | 2017
- 17434
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Experiment and theory confirm that UV laser photodissociation spectroscopy can distinguish protomers formed via electrosprayMatthews, Edward / Dessent, Caroline E. H. et al. | 2017
- 17441
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Zipf's law for pore ranking and pore anisotropyPomonis, Philippo / Margellou, Antigoni et al. | 2017
- 17441
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Zipf's law for pore ranking and pore anisotropyElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02055dPomonis, Philippos et al. | 2017
- 17449
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Insight into thiophene hydrodesulfurization on clean and S-modified MoP(010): a periodic density functional theory studyLi, Guixia / Zhao, Lianming / Zhu, Houyu et al. | 2017
- 17461
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Effect of mixed anions on the physicochemical properties of a sodium containing alkoxyammonium ionic liquid electrolyteHilder, Matthia / Gras, Matthieu / Pope, Cameron R. et al. | 2017
- 17461
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Effect of mixed anions on the physicochemical properties of a sodium containing alkoxyammonium ionic liquid electrolyteElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03318dHilder, Matthias et al. | 2017
- 17469
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Correction: Systematic investigation of the SERS efficiency and SERS hotspots in gas-phase deposited Ag nanoparticle assembliesHe, L. B. / Wang, Y. L. / Xie, X. et al. | 2017
- 17471
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Back cover| 2017
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On the feasibility of reactions through the fullerene wall: a theoretical study of NHx@C60Electronic supplementary information (ESI) available: Gaussian archives of all optimized structures and MS Excel tables with all energies. See DOI: 10.1039/c7cp02865bDral, Pavlo O et al. | 2017
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Experiment and theory confirm that UV laser photodissociation spectroscopy can distinguish protomers formed via electrosprayElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp02817bMatthews, Edward et al. | 2017
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Stabilization vs. destabilization of G-quadruplex superstructures: the role of the porphyrin derivative having spermine armsElectronic supplementary information (ESI) available: UV and CD titrations, resonance light scattering (RLS experiments). See DOI: 10.1039/c7cp02816dD'Urso, A et al. | 2017
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Insight into thiophene hydrodesulfurization on clean and S-modified MoP(010): a periodic density functional theory studyElectronic supplementary information (ESI) available: The test calculation for setting the calculation parameters, the adsorption of less stable thiophene, the PESs for HYD and conversion of thiophene, the C-S distances in the thiophene DDS intermediates, decomposition of the energy barrier for the initial C-S bond scission of thiophene from T-hollow-top and Mulliken populations on MoP(010). See DOI: 10.1039/c7cp01859bLi, Guixia et al. | 2017
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Electronic properties of blue phosphorene/graphene and blue phosphorene/graphene-like gallium nitride heterostructuresElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp01852eSun, Minglei et al. | 2017
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Cross-impact of surface and interaction anisotropy in the self-assembly of organic adsorption monolayers: a Monte Carlo and transfer-matrix studyElectronic supplementary information (ESI) available: Additional adsorption isotherms, differential heat of adsorption and internal energy vs. coverage curves, and detailed structures of ordered phases for different surface topographies. See DOI: 10.1039/c7cp01863kGorbunov, V. A et al. | 2017
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WatAA: Atlas of Protein Hydration. Exploring synergies between data mining and ab initio calculationsElectronic supplementary information (ESI) available: File F1, Table S1 and Fig. S1-S6 show further details of the results. See DOI: 10.1039/c7cp00187herný, Ji í et al. | 2017