Structure of the aqueous electron (English)
- New search for: Herbert, John M.
- New search for: Herbert, John M.
In:
Physical Chemistry Chemical Physics
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21
, 37
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20538-20565
;
2019
- Article (Journal) / Electronic Resource
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Title:Structure of the aqueous electron
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Contributors:Herbert, John M. ( author )
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Published in:Physical Chemistry Chemical Physics ; 21, 37 ; 20538-20565
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Publisher:
- New search for: The Royal Society of Chemistry
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Publication date:2019-09-25
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Size:28 pages
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ISSN:
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Coden:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Source:
Table of contents – Volume 21, Issue 37
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 20503
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Front cover| 2019
- 20504
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Inside front cover| 2019
- 20505
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Contents list| 2019
- 20523
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Boron-based inorganic heterocyclic clusters: electronic structure, chemical bonding, aromaticity, and analogy to hydrocarbonsFeng, Lin-Yan / Li, Rui / Zhai, Hua-Jin et al. | 2019
- 20538
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Structure of the aqueous electronHerbert, John M. et al. | 2019
- 20566
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Pyridine–acetaldehyde, a molecular balance to explore the n→π* interactionBlanco, Susana / Macario, Alberto / López, Juan Carlo et al. | 2019
- 20571
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Probing molecular interactions of PEGylated chitosan in aqueous solutions using a surface force apparatusXiang, Li / Gong, Lu / Zhang, Jiawen / Zhang, Ling / Hu, Wenjihao / Wang, Wenda / Lu, Qingye / Zeng, Hongbo et al. | 2019
- 20582
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Accessing different binding sites of a multifunctional molecule: IR spectroscopy of propargyl alcohol⋯water complexes in helium dropletsMani, Devendra / Pal, Nitish / Smialkowski, Mathia / Beakovic, Claudio / Schwaab, Gerhard / Havenith, Martina et al. | 2019
- 20588
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Chiral metallic glass nanolattices with combined lower density and improved auxeticityChen, Zhe / Liu, Haishun / Li, Wenyu / Mo, Jinyong / Wang, Mingzi / Zhang, Yue / Li, Jingyan / Jiang, Qi / Yang, Weiming / Tang, Chunguang et al. | 2019
- 20595
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Accelerated computation of free energy profile at ab initio quantum mechanical/molecular mechanical accuracy via a semi-empirical reference potential. II. Recalibrating semi-empirical parameters with force matchingPan, Xiaoliang / Li, Pengfei / Ho, Junming / Pu, Jingzhi / Mei, Ye / Shao, Yihan et al. | 2019
- 20606
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Auramine O interaction with DNA: a combined spectroscopic and TD-DFT analysisAydinoglu, Sabriye / Pasti, Andrea / Biver, Tarita / Mennucci, Benedetta et al. | 2019
- 20613
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Visualizing reaction and diffusion in xanthan gum aerosol particles exposed to ozoneAlpert, Peter A. / Corral Arroyo, Pablo / Dou, Jing / Krieger, Ulrich K. / Steimer, Sarah S. / Förster, Jan-David / Ditas, Florian / Pöhlker, Christopher / Rossignol, Stéphanie / Passananti, Monica et al. | 2019
- 20628
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How does the mutation in the cap domain of methylcobalamin-dependent methionine synthase influence the photoactivation of the Co–C bond?Ghosh, Arghya Pratim / Mamun, Abdullah Al / Kozlowski, Pawel M. et al. | 2019
- 20641
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Growth of highly oriented MoS2via an intercalation process in the graphene/SiC(0001) systemMichałowski, Paweł Piotr / Knyps, Piotr / Ciepielewski, Paweł / Caban, Piotr A. / Dumiszewska, Ewa / Kowalski, Grzegorz / Tokarczyk, Mateusz / Baranowski, Jacek M. et al. | 2019
- 20647
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Cation⋯cation hydrogen bonds in synephrine salts: a typical interaction in an unusual environmentDash, Sibananda G. / Thakur, Tejender S. et al. | 2019
- 20661
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Ferroelectric nanocomposite networks with high energy storage capacitance and low ferroelectric loss by designing a hierarchical interface architectureChen, Yingxin / Yue, Yifeng / Liu, Jie / Shu, Jie / Liu, Aiping / Chu, Baojin / Xu, Minhui / Xu, Weizhong / Chen, Tong / Zhang, Jian et al. | 2019
- 20672
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Hydrophobic pattern of alkylated ureas markedly affects water rotation and hydrogen bond dynamics in aqueous solutionMarekha, Bogdan A. / Hunger, Johanne et al. | 2019
- 20678
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A high-throughput computational approach to UV-Vis spectra in protein mutantsPaulikat, Mirko / Mata, Ricardo A. / Gelabert, Ricard et al. | 2019
- 20693
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Effects of surface halogenation on exciton relaxation in Si crystallites: prospects for photovoltaicsDerbenyova, Natalia V. / Shvetsov, Artyom E. / Konakov, Anton A. / Burdov, Vladimir A. et al. | 2019
- 20706
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Evaluation of interfacial stability and strength of cermets based on work functionLu, Hao / Wang, Haibin / Zhao, Chong / Tang, Fawei / Hou, Chao / Liu, Xuemei / Song, Xiaoyan et al. | 2019
- 20720
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The use of ion-selective membranes to study cation transport in hybrid organic–inorganic perovskitesSmith, Emily C. / Ellis, Christie L. C. / Javaid, Hamza / Arden, Blaise G. / Venkataraman, D. et al. | 2019
- 20727
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Probing the functional conformations of an atypical proline-rich fusion peptideDutta, Nivedita / Dutta Chowdhury, Saikat / Lahiri, Ansuman et al. | 2019
- 20743
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Thermal C–O coupling reactions of Ta methylene clusters [TanCH2]+ (n = 1, 4) with O2Masubuchi, T. / Eckhard, J. F. / Goddard, G. / Tschurl, M. / Heiz, U. et al. | 2019
- 20750
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Competitive double-switched self-assembled cyclic peptide nanotubes: a dual internal and external controlCalvelo, Martín / Granja, Juan R. / Garcia-Fandino, Rebeca et al. | 2019
- 20757
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Defects in Li4Ti5O12 induced by carbon deposition: an analysis of unidentified bands in Raman spectraPelegov, Dmitry V. / Nasara, Ralph Nicolai / Tu, Chia-hao / Lin, Shih-kang et al. | 2019
- 20764
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Direct detection of polar structure formation in helium nanodroplets by beam deflection measurementsNiman, John W. / Kamerin, Benjamin S. / Kranabetter, Lorenz / Merthe, Daniel J. / Suchan, Jiří / Slavíček, Petr / Kresin, Vitaly V. et al. | 2019
- 20770
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Effect of confinement on the adsorption behavior of inorganic and organic ions at aqueous–cyclohexane interfaces: a molecular dynamics studyHosseini Anvari, Monir / Choi, Phillip et al. | 2019
- 20782
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Exploring chemical space in the search for improved azoheteroarene-based photoswitchesVela, Sergi / Krüger, Constantin / Corminboeuf, Clémence et al. | 2019
- 20791
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Spectroscopic and computational insights into the ion–solvent interactions in hydrated aprotic and protic ionic liquidsKundu, Kaushik / Chandra, Goutam K. / Umapathy, Siva / Kiefer, Johanne et al. | 2019
- 20805
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CO2 absorption and desorption characteristics of MgO-based absorbent promoted by triple eutectic alkali carbonateKwak, Jin-Su / Oh, Kyung-Ryul / Kim, Kang-Yeong / Lee, Jeong-Min / Kwon, Young-Uk et al. | 2019
- 20814
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Revisiting π backbonding: the influence of d orbitals on metal–CO bonds and ligand red shiftsKoch, Daniel / Chen, Yingqian / Golub, Pavlo / Manzhos, Sergei et al. | 2019
- 20822
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Ab initio molecular dynamics simulation of vibrational energy redistribution of selective excitation of C–H stretching vibrations for solid nitromethaneLu, Meilin / Zheng, Zhaoyang / Zhu, Gangbei / Yu, Guoyang / Song, Yunfei / Yang, Yanqiang et al. | 2019
- 20829
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Chalcogen bonding of two ligands to hypervalent YF4 (Y = S, Se, Te, Po)Zierkiewicz, Wiktor / Wysokiński, Rafał / Michalczyk, Mariusz / Scheiner, Steve et al. | 2019
- 20840
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Thermodynamics of the S2-to-S3 state transition of the oxygen-evolving complex of photosystem IIAmin, Muhamed / Kaur, Divya / Yang, Ke R. / Wang, Jimin / Mohamed, Zainab / Brudvig, Gary W. / Gunner, M. R. / Batista, Victor et al. | 2019
- 20849
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Switching of the reaction enthalpy from exothermic to endothermic for decomposition of H2CO3 under confinementMallick, Subhasish / Kumar, Pradeep et al. | 2019
- 20857
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Benchmarking dual-level MS-Tor and DLPNO-CCSD(T) methods for H-abstraction from methyl pentanoate by an OH radicalShang, Yanlei / Ning, Hongbo / Shi, Jinchun / Wang, Hongyan / Luo, Sheng-Nian et al. | 2019
- 20868
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Reversible low-temperature redox activity and selective oxidation catalysis derived from the concerted activation of multiple metal species on Cr and Rh-incorporated ceria catalystsIkemoto, Satoru / Huang, Xiubing / Muratsugu, Satoshi / Nagase, Shoko / Koitaya, Takanori / Matsui, Hirosuke / Yokota, Gen-ichi / Sudoh, Takatoshi / Hashimoto, Ayako / Tan, Yuanyuan et al. | 2019
- 20878
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Atomic-scale structure of misfit dislocations in CeO2/MgO heterostructures and thermodynamic stability of dopant–defect complexes at the heterointerfaceDholabhai, Pratik P. et al. | 2019
- 20892
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Strain-tunable electric structure and magnetic anisotropy in monolayer CrSIHan, Ruilin / Yan, Yu et al. | 2019
- 20901
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Theoretical and experimental investigations of BiOCl for electrochemical adsorption of cesium ionsZhang, Huixin / Alameen, Ayman / An, Xiaowei / Shen, Qianyao / Chang, Lutong / Ding, Shengqi / Du, Xiao / Ma, Xuli / Hao, Xiaogang / Peng, Changjun et al. | 2019
- 20909
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Effect of doping Ti on the vacancy trapping mechanism for helium in ZrCo from first principlesWang, Qingqing / Kong, Xianggang / Yu, You / Han, Huilei / Sang, Ge / Zhang, Guanghui / Yi, Yougen / Gao, Tao et al. | 2019
- 20919
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Insight into the hybrid luminescence showed by carbon dots and molecular fluorophores in solutionSendão, Ricardo M. S. / Crista, Diana M. A. / Afonso, Ana Carolina P. / Martínez de Yuso, Maria del Valle / Algarra, Manuel / Esteves da Silva, Joaquim C. G. / Pinto da Silva, Luí et al. | 2019
- 20927
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Localizing electron density errors in density functional theoryLaplaza, Rubén / Polo, Victor / Contreras-García, Julia et al. | 2019
- 20939
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Nitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational propertiesPlatonenko, Alexander / Gentile, Francesco Silvio / Pascale, Fabien / Ferrari, Anna Maria / D’Amore, Maddalena / Dovesi, Roberto et al. | 2019
- 20951
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Drug-resistance mechanisms of three mutations in anaplastic lymphoma kinase against two inhibitors based on MM/PBSA combined with interaction entropyXiao, Zhengrong / Cong, Yalong / Huang, Kaifang / Zhong, Susu / Zhang, John Z. H. / Duan, Lili et al. | 2019
- 20965
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Alloying-induced spin Seebeck effect and spin figure of merit in Pt-based bimetallic atomic wires of noble metalsSingh, Gurvinder / Kumar, Krishan / Moudgil, R. K. et al. | 2019
- 20981
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The sp2 character of new two-dimensional AsB with tunable electronic properties predicted by theoretical studiesZhang, Jie / Liu, Huijun / Gao, Yun / Xia, Xiaohong / Huang, Zhongbing et al. | 2019
- 20988
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Quantifying individual (anti)bonding molecular orbitals’ contributions to chemical bondingde Lange, Jurgens H. / van Niekerk, Daniël M. E. / Cukrowski, Ignacy et al. | 2019
- 20999
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Modulation of amyloid β peptide aggregation by hydrophilic polymersEvgrafova, Zhanna / Voigt, Bruno / Roos, Andreas H. / Hause, Gerd / Hinderberger, Dariush / Balbach, Jochen / Binder, Wolfgang H. et al. | 2019
- 21007
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Rotational energy relaxation quantum dynamics of a diatomic molecule in a superfluid helium nanodroplet and study of the hydrogen isotopes caseBlancafort-Jorquera, Miquel / Vilà, Arnau / González, Miguel et al. | 2019
- 21022
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Second harmonic generation in Janus MoSSe a monolayer and stacked bulk with vertical asymmetryWei, Yadong / Xu, Xiaodong / Wang, Songsong / Li, Weiqi / Jiang, Yongyuan et al. | 2019
- 21030
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Photoswitchable de/adsorption of an azobenzene-derived surfactant on a silica surfaceWu, Ziye / Li, Xin / Jiang, Xiaoming / Xie, Tian / Li, Huiyong / Zhang, Guozhen / Jiang, Jun et al. | 2019
- 21038
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Persistent homology analysis of osmolyte molecular aggregation and their hydrogen-bonding networksXia, Kelin / Anand, D. Vijay / Shikhar, Saxena / Mu, Yuguang et al. | 2019
- 21049
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Assessment of van der Waals inclusive density functional theory methods for adsorption and selective dehydrogenation of formic acid on Pt(111) surfaceYuan, Dingwang / Liao, Heting / Hu, Wangyu et al. | 2019
- 21057
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Quasiperiodic behavior in the electrodeposition of Cu/Sn multilayers: extraction of activation energies and wavelet analysisMenezes, Laura / Parma, Eduardo / Machado, Eduardo G. / Nagao, Raphael et al. | 2019
- 21064
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SnP2S6 monolayer: a promising 2D semiconductor for photocatalytic water splittingJing, Yu / Zhou, Zhenpei / Zhang, Juan / Huang, Chaobo / Li, Yafei / Wang, Fei et al. | 2019
- 21070
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Introducing novel electronic and magnetic properties in C3N nanosheets by defect engineering and atom substitutionBafekry, Asadollah / Farjami Shayesteh, Saber / Peeters, Francois M. et al. | 2019
- 21084
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Theoretical studies on the energy structures and optical properties of copper cysteamine – a novel sensitizerAlias, Marc / Alkhaldi, Noura D. / Reguero, Mar / Ma, Lun / Zhang, Junying / de Graaf, Coen / Huda, Muhammad N. / Chen, Wei et al. | 2019
- 21094
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Calculation of vibrationally resolved absorption spectra of acenes and pyreneBenkyi, Isaac / Tapavicza, Enrico / Fliegl, Heike / Sundholm, Dage et al. | 2019
- 21104
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Synthesis of nanosized vanadium(v) oxide clusters below 10 nmLasserus, Maximilian / Knez, Daniel / Lackner, Florian / Schnedlitz, Martin / Messner, Roman / Schennach, Daniel / Kothleitner, Gerald / Hofer, Ferdinand / Hauser, Andreas W. / Ernst, Wolfgang E. et al. | 2019
- 21109
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Atmospheric oxidation mechanism and kinetics of 2-bromo-4,6-dinitroaniline by OH radicals – a theoretical studyGnanaprakasam, M. / Saranya, G. / Bandaru, S. / English, N. J. / Senthilkumar, K. et al. | 2019
- 21128
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Boronated holey graphene: a case of 2D ferromagnetic metalNafday, Dhani / Fang, Hong / Jena, Puru / Saha-Dasgupta, Tanusri et al. | 2019
- 21136
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Equilibration of molecules between two compartments through a nanochannel in the presence of osmolytes: a molecular dynamics simulation studyEun, Changsun et al. | 2019
- 21152
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Coinage metal dimers as the noncovalent interaction acceptors: study of the σ-lump interactionsCui, Jing / Zhang, Xueying / Meng, Lingpeng / Li, Qingzhong / Zeng, Yanli et al. | 2019
- 21162
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Comment on “Atmospheric oxidation reactions of imidazole initiated by hydroxyl radicals: kinetics and mechanism of reactions and atmospheric implications” by Safaei et al., Phys. Chem. Chem. Phys., 2019, 21, 8445Mai, Tam V.-T. / Huynh, Lam K. et al. | 2019
- 21166
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Correction: Hydrophobic silane coating films for the inhibition of water ingress into the nanometer pore of calcium silicate hydrate gelsYu, Jiao / Li, Shaochun / Hou, Dongshuai / Jin, Zuquan / Liu, Qing-feng et al. | 2019
- 21167
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Inside back cover| 2019
- 21168
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Back cover| 2019