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    2022

  1. A concise review on recent developments of machine learning for the prediction of vibrational spectra

    R. Han, R. Ketkaew, S. Luber
    J. Phys. Chem. A 2022, 126, 801-812 (doi:10.1021/acs.jpca.1c10417)
  2. A generalized machine learning framework to predict the space-time yield of methanol from thermocatalytic CO2 hydrogenation

    M. Suvarna, T. Pinheiro Araújo, J. Pérez-Ramírez
    Appl. Catal., B 2022, 315, 121530 (doi:10.1016/j.apcatb.2022.121530)
  3. Algorithm-aided engineering of aliphatic halogenase WelO5 for the asymmetric late-stage functionalization of soraphens

    J. Büchler, S. Honda Malca, D. Patsch, M. Voss, N.J. Turner, U.T. Bornscheuer, O. Allemann, C. Le Chapelain, A. Lumbroso, O. Loiseleur, R. Buller
    Nat. Commun. 2022, 13, 371 (doi:10.1038/s41467-022-27999-1)
  4. Asymmetric cyclopropanation and epoxidation via a catalytically formed chiral auxiliary

    M. Puriņš, J. Waser
    Angew. Chem.Int. Ed. 2022, 61, e202113925 (doi:10.1002/anie.202113925)
  5. Automated image analysis for single-atom detection in catalytic materials by transmission electron microscopy

    S. Mitchell, F. Parés, D. Faust Akl, S.M. Collins, D.M. Kepaptsoglou, Q.M. Ramasse, D. Garcia-Gasulla, J. Pérez-Ramírez, N. López
    J. Am. Chem. Soc. 2022, 144, 8018-8029 (doi:10.1021/jacs.1c12466)
  6. Autonomous reaction network exploration in homogeneous and heterogeneous catalysis

    M. Steiner, M. Reiher
    Top Catal 2022, 65, 6-39 (doi:10.1007/s11244-021-01543-9)
  7. Biocatalysed synthesis planning using data-driven learning

    D. Probst, M. Manica, Y. Gaetan Nana Teukam, A. Castrogiovanni, F. Paratore, T. Laino
    Nat. Commun. 2022, 13, 964 (doi:10.1038/s41467-022-28536-w)
  8. Catalyst: a step forward for PVC manufacture from natural gas

    G. Zichittella, A. Ceruti, G. Guillén-Gosálbez, J. Pérez-Ramírez
  9. Chlorination of arenes via the degradation of toxic chlorophenols

    M. Liu, X. Yang, P.J. Dyson
    Proc. Natl. Acad. Sci. U. S. A. 2022, 119, e2122425119 (doi:10.1073/pnas.2122425119)
  10. Colloidal-ALD-grown hybrid shells nucleate via a ligand-precursor complex

    O. Segura Lecina, M.A. Hope, A. Venkatesh, S. Björgvinsdóttir, K. Rossi, A. Loiudice, L. Emsley, R. Buonsanti
    J. Am. Chem. Soc. 2022, 144, 3998-4008 (doi:10.1021/jacs.1c12538)
  11. Controlled formation of dimers and spatially isolated atoms in bimetallic au-ru catalysts via carbon-host functionalization

    V. Giulimondi, S.K. Kaiser, A.J. Martín, S. Büchele, F. Krumeich, A.H. Clark, J. Pérez-Ramírez
    Small 2022, in press, 2200224 (doi:10.1002/smll.202200224)
  12. Elucidating the transition between CO2 physisorption and chemisorption in 1,2,4-triazolate ionic liquids at a molecular level

    X. Hu, X. Yang, L. Chen, M. Mei, Z. Song, Z. Fei, P.J. Dyson, Z. Qi
    Chem. Eng. J. 2022, 435, 134956 (doi:10.1016/j.cej.2022.134956)
  13. Elucidation of metal local environments in single-atom catalysts based on Carbon Nitrides

    S. Büchele, A. Yakimov, S.M. Collins, A. Ruiz-Ferrando, Z. Chen, E. Willinger, D.M. Kepaptsoglou, Q.M. Ramasse, C.R. Müller, O.V. Safonova, N. López, C. Copéret, J. Pérez-Ramírez, S. Mitchell
    Small 2022, in press, 2202080 (doi:10.1002/smll.202202080)
  14. Enantioselective tail-to-head terpene cyclizations by optically active hexameric Resorcin[4]arene capsule derivatives

    D. Sokolova, G.M. Piccini, K. Tiefenbacher
    Angew. Chem. Int. Ed. 2022, in press, e202203384 (doi:10.1002/anie.202203384)
  15. Flame spray pyrolysis as a synthesis platform to assess Metal promotion in in 2O3-catalyzed CO2 hydrogenation

    T. Pinheiro Araújo, J. Morales-Vidal, T. Zou, R. García-Muelas, P.O. Willi, K.M. Engel, O.V. Safonova, D. Faust Akl, F. Krumeich, R.N. Grass, C. Mondelli, N. López, J. Pérez-Ramírez
    Adv. Energy Mater. 2022, in press, 2103707 (doi:10.1002/aenm.202103707)
  16. Generalizing performance equations in heterogeneous catalysis from hybrid data and statistical learning

    S. Pablo-García, A. Sabadell-Rendón, A.J. Saadun, S. Morandi, J. Pérez-Ramírez, N. López
    ACS Catal. 2022, 12, 1581-1594 (doi:10.1021/acscatal.1c04345)
  17. Genetic optimization of homogeneous catalysts

    R. Laplaza, S. Gallarati, C. Corminboeuf
    Chemistry‐Methods 2022, in press, e202100107 (doi:10.1002/cmtd.202100107)
  18. Highly selective oxidative dehydrogenation of Ethane to Ethylene via chemical looping with Oxygen uncoupling through structural engineering of the Oxygen carrier

    G. Luongo, F. Donat, A.H. Bork, E. Willinger, A. Landuyt, C.R. Müller
    Adv. Energy Mater. 2022, 12, 2200405 (doi:10.1002/aenm.202200405)
  19. Improving the lifetime of hybrid CoPc@MWCNT catalysts for selective electrochemical CO2-to-CO conversion

    C. Sun, Y. Hou, N. Lüdi, H. Hu, M. de Jesús Gálvez-Vázquez, M. Liechti, Y. Kong, M. Liu, R. Erni, A.V. Rudnev, P. Broekmann
    J. Catal. 2022, 407, 198-205 (doi:10.1016/j.jcat.2022.02.001)
  20. Machine intelligence for chemical reaction space

    P. Schwaller, A.C. Vaucher, R. Laplaza, C. Bunne, A. Krause, C. Corminboeuf, T. Laino
    WIREs Comput. Mol. Sci. 2022, in press, e1604 (doi:10.1002/wcms.1604)
  21. Machine learning-assisted discovery of hidden states in expanded free energy space

    R. Ketkaew, F. Creazzo, S. Luber
    J. Phys. Chem. Lett. 2022, 13, 1797-1805 (doi:10.1021/acs.jpclett.1c04004)
  22. Mapping active site geometry to activity in immobilized frustrated Lewis Pair catalysts

    S. Das, R. Laplaza, J.T. Blaskovits, C. Corminboeuf
    Angew. Chem.Int. Ed. 2022, in press, e202202727 (doi:10.1002/anie.202202727)
  23. Mapping catalyst-solvent interplay in competing carboamination/cyclopropanation reactions

    M.D. Wodrich, M. Chang, S. Gallarati, Ł. Woźniak, N. Cramer, C. Corminboeuf
    Chem.Eur. J. 2022, in press, e202200399 (doi:10.1002/chem.202200399)
  24. Mechanistic routes toward C3 products in copper-catalysed CO2 electroreduction

    S. Pablo-García, F.L.P. Veenstra, L.R.L. Ting, R. García-Muelas, F. Dattila, A.J. Martín, B.S. Yeo, J. Pérez-Ramírez, N. López
    Catal. Sci. Technol. 2022, 12, 409-417 (doi:10.1039/d1cy01423d)
  25. Modulating electric field distribution by alkali cations for CO2 electroreduction in strongly acidic medium

    J. Gu, S. Liu, W. Ni, W. Ren, S. Haussener, X. Hu
    Nat Catal 2022, 5, 268-276 (doi:10.1038/s41929-022-00761-y)
  26. Oxidase-type C-H/C-H coupling using an isoquinoline-derived organic photocatalyst

    L. Zhang, B. Pfund, O.S. Wenger, X. Hu
    Angew. Chem.Int. Ed. 2022, in press, e202202649 (doi:10.1002/anie.202202649)
  27. Palladium-catalyzed trans-hydroalkoxylation: Counterintuitive use of an Aryl Iodide additive to promote C–H bond formation

    A. Das, L. Buzzetti, M. Puriņš, J. Waser
    ACS Catal. 2022, 12, 7565-7570 (doi:10.1021/acscatal.2c01809)
  28. Performance descriptors of nanostructured metal catalysts for acetylene hydrochlorination

    S.K. Kaiser, E. Fako, I. Surin, F. Krumeich, V.A. Kondratenko, E.V. Kondratenko, A.H. Clark, N. López, J. Pérez-Ramírez
    Nat. Nanotechnol. 2022, 17, 606-612 (doi:10.1038/s41565-022-01105-4)
  29. Porous polyisothiocyanurates for selective palladium recovery and heterogeneous catalysis

    K. Song, T. Ashirov, S.N. Talapaneni, A.H. Clark, A.V. Yakimov, M. Nachtegaal, C. Copéret, A. Coskun
  30. Redispersion strategy for high-loading carbon-supported metal catalysts with controlled nuclearity

    V. Giulimondi, S.K. Kaiser, M. Agrachev, F. Krumeich, A.H. Clark, S. Mitchell, G. Jeschke, J. Pérez-Ramírez
    J. Mater. Chem. A 2022, 10, 5953-5961 (doi:10.1039/d1ta09238c)
  31. Shaping copper nanocatalysts to steer selectivity in the electrochemical CO2 reduction reaction

    K. Rossi, R. Buonsanti
    Acc. Chem. Res. 2022, 55, 629-637 (doi:10.1021/acs.accounts.1c00673)
  32. Single-atom heterogeneous catalysts for sustainable organic synthesis

    G. Giannakakis, S. Mitchell, J. Pérez-Ramírez
    Trends Chem. 2022, 4, 264-276 (doi:10.1016/j.trechm.2022.01.008)
  33. Site-specific protein ubiquitylation using an engineered, chimeric E1 activating enzyme and E2 SUMO conjugating enzyme Ubc9

    G. Akimoto, A.P. Fernandes, J.W. Bode
    ACS Cent. Sci. 2022, 8, 275-281 (doi:10.1021/acscentsci.1c01490)
  34. Social life cycle assessment of green methanol and benchmarking against conventional fossil methanol

    D. Iribarren, R. Calvo-Serrano, M. Martín-Gamboa, Á. Galán-Martín, G. Guillén-Gosálbez
    Sci. Total Environ. 2022, 824, 153840 (doi:10.1016/j.scitotenv.2022.153840)
  35. Surface intermediates in In-based ZrO2-supported catalysts for hydrogenation of CO2 to methanol

    A. Tsoukalou, N.S. Bushkov, S.R. Docherty, D. Mance, A.I. Serykh, P.M. Abdala, C. Copéret, A. Fedorov, C.R. Müller
    J. Phys. Chem. C 2022, 126, 1793-1799 (doi:10.1021/acs.jpcc.1c08814)
  36. The (not so) simple prediction of enantioselectivity a pipeline for high-fidelity computations

    R. Laplaza, J.G. Sobez, M.D. Wodrich, M. Reiher, C. Corminboeuf
    Chem. Sci. 2022, 13, 6858-6864 (doi:10.1039/d2sc01714h)
  37. Tracking high-valent surface iron species in the oxygen evolution reaction on cobalt iron (oxy)hydroxides

    S. Lee, A. Moysiadou, Y.C. Chu, H.M. Chen, X. Hu
    Energy Environ. Sci., 2022, 15, 206-214 (doi:10.1039/d1ee02999a)
  38. Two-carbon ring expansion of cyclobutanols to cyclohexenones enabled by indole radical cation intermediate: Development and application to a total synthesis of uleine

    A. Leclair, Q. Wang, J. Zhu
    ACS Catal. 2022, 12, 1209-1215 (doi:10.1021/acscatal.1c05621)
  39. Visualisation and quantification of flooding phenomena in gas diffusion electrodes used for electrochemical CO2 reduction: a combined EDX/ICP-MS approach

    Y. Kong, H. Hu, M. Liu, Y. Hou, V. Kolivoška, S. Vesztergom, P. Broekmann
    J. Catal. 2022, 408, 1-8 (doi:10.1016/j.jcat.2022.02.014)
  40. Well-defined copper-based nanocatalysts for selective electrochemical reduction of CO2 to C2 products

    L. Zaza, K. Rossi, R. Buonsanti
    ACS Energy Lett. 2022, 7, 1284-1291 (doi:10.1021/acsenergylett.2c00035)
  41. 2021

  42. Asymmetric cation-olefin monocyclization by engineered squalene-hopene cyclases

    M. Eichenberger, S. Hüppi, D. Patsch, N. Aeberli, R. Berweger, S. Dossenbach, E. Eichhorn, F. Flachsmann, L. Hortencio, F. Voirol, S. Vollenweider, U.T. Bornscheuer, R. Buller
    Angew. Chem. Int. Ed. 2021, 60, 26080-26086 (doi:10.1002/anie.202108037)
  43. Atomic-scale structure and its impact on chemical properties of aluminum oxide layers prepared by atomic layer deposition on silica

    M. Kaushik, C. Leroy, Z. Chen, D. Gajan, E. Willinger, C.R. Müller, F. Fayon, D. Massiot, A. Fedorov, C. Copéret, A. Lesage, P. Florian
    Chem. Mater. 2021, 33, 3335-3348 (doi:10.1021/acs.chemmater.1c00516)
  44. Atomically precise control in the design of low-nuclearity supported metal catalysts

    S. Mitchell, J. Pérez-Ramírez
    Nat. Rev. Mater. 2021, 6, 969-985 (doi:10.1038/s41578-021-00360-6)
  45. Branched Poly(Aryl Piperidinium) membranes for Anion-exchange membrane fuel cells

    X. Wu, N. Chen, H.A. Klok, Y.M. Lee, X. Hu
    Angew. Chem., Int. Ed. 2021, 61, e202114892 (doi:10.1002/anie.202114892)
  46. Carbon-supported bimetallic ruthenium-iridium catalysts for selective and stable hydrodebromination of dibromomethane

    A.J. Saadun, S. Mitchell, H. Bonchev, J. Pérez-Ramírez
    ChemCatChem 2021, 14, e202101915 (doi:10.1002/cctc.202101494)
  47. Chelation-assisted C-C bond activation of biphenylene by gold(I) halides

    H. Beucher, J. Schörgenhumer, E. Merino, C. Nevado
    Chem. Sci. 2021, 12, 15084-15089 (doi:10.1039/d1sc03814a)
  48. CO2 capture at medium to high temperature using solid oxide-based sorbents: fundamental aspects, mechanistic insights, and recent advances

    M.T. Dunstan, F. Donat, A.H. Bork, C.P. Grey, C.R. Müller
    Chem. Rev. 2021, 121, 12681-12745 (doi:10.1021/acs.chemrev.1c00100)
  49. Cobalt(III)-catalyzed diastereo- and enantioselective three-component CH functionalization

    A.G. Herraiz, N. Cramer
    ACS Catal. 2021, 11, 11938-11944 (doi:10.1021/acscatal.1c03153)
  50. Continuous hydrogenolysis of acetal-stabilized lignin in flow

    W. Lan, Y.P. Du, S. Sun, J. Behaghel de Bueren, F. Héroguel, J.S. Luterbacher
    Green Chem. 2021, 23, 320-327 (doi:10.1039/d0gc02928a)
  51. Copper nanocrystal morphology determines the viability of molecular surface functionalization in tuning electrocatalytic behavior in CO2 reduction

    J.R. Pankhurst, P. Iyengar, V. Okatenko, R. Buonsanti
    Inorg. Chem. 2021, 60, 6939-6945 (doi:10.1021/acs.inorgchem.1c00287)
  52. Cu(I)-catalyzed gem-aminoalkynylation of diazo compounds: synthesis of fluorinated propargylic amines

    N.P. Ramirez, G. Pisella, J. Waser
    J. Org. Chem. 2021, 86, 10928-10938 (doi:10.1021/acs.joc.1c01423)
  53. Deciphering metal-oxide and metal-metal interplay via surface organometallic chemistry: a case study with CO2 hydrogenation to methanol

    S.R. Docherty, C. Copéret
    J. Am. Chem. Soc. 2021, 143, 6767-6780 (doi:10.1021/jacs.1c02555)
  54. Diaryl ether formation merging photoredox and nickel catalysis

    L. Liu, C. Nevado
    Organometallics 2021, 40, 2188-2193 (doi:10.1021/acs.organomet.1c00018)
  55. Diformylxylose as a new polar aprotic solvent produced from renewable biomass

    A.O. Komarova, G.R. Dick, J.S. Luterbacher
    Green Chem. 2021, 23, 4790-4799 (doi:10.1039/d1gc00641j)
  56. Direct photoexcitation of ethynylbenziodoxolones: an alternative to photocatalysis for alkynylation reactions

    S.G. E. Amos, D. Cavalli, F. Le Vaillant, J. Waser
    Angew. Chem. Int. Ed. 2021, 60, 23827-23834 (doi:10.1002/anie.202110257)
  57. Dual valorization of lignin as a versatile and renewable matrix for enzyme immobilization and (flow) bioprocess engineering

    A.I. Benítez-Mateos, S. Bertella, J. Behaghel de Bueren, J.S. Luterbacher, F. Paradisi
    ChemSusChem 2021, 14, 3198-3207 (doi:10.1002/cssc.202100926)
  58. Elucidating the facet-dependent selectivity for CO2 electroreduction to ethanol of CuAg tandem catalysts

    P. Iyengar, M.J. Kolb, J.R. Pankhurst, F. Calle-Vallejo, R. Buonsanti
    ACS Catal. 2021, 11, 4456-4463 (doi:10.1021/acscatal.1c00420)
  59. Elucidating the structure-dependent selectivity of CuZn towards methane and ethanol in CO2 electroreduction using tailored Cu/ZnO precatalysts

    S. Behnaz Varandili, D. Stoian, J. Vavra, K. Rossi, J.R. Pankhurst, Y.T. Guntern, N. López, R. Buonsanti
    Chem. Sci. 2021, 12, 14484-14493 (doi:10.1039/d1sc04271h)
  60. Ethane-based catalytic process for vinyl chloride manufacture

    G. Zichittella, J. Pérez-Ramírez
    Angew. Chem. Int. Ed. 2021, 60, 24089-24095 (doi:10.1002/anie.202105851)
  61. Expansive quantum mechanical exploration of chemical reaction paths

    A. Baiardi, S.A. Grimmel, M. Steiner, P.L. Türtscher, J.P. Unsleber, T. Weymuth, M. Reiher
    Acc. Chem. Res. 2021, 55, 35-43 (doi:10.1021/acs.accounts.1c00472)
  62. Experimental data supported techno-economic assessment of the oxidative dehydrogenation of ethane through chemical looping with oxygen uncoupling

    G. Luongo, F. Donat, M. Krödel, C.C. Cormos, C.R. Müller
    Renewable Sustainable Energy Rev. 2021, 149, 111403 (doi:10.1016/j.rser.2021.111403)
  63. Exploiting the lability of metal halide perovskites for doping semiconductor nanocomposites

    M. Calcabrini, Aziz Genç, Y. Liu, T. Kleinhanns, S. Lee, D.N. Dirin, Q.A. Akkerman, M.V. Kovalenko, J. Arbiol and M. Ibáñez
    ACS Energy Lett. 2021, 6, 581-587 (doi:10.1021/acsenergylett.0c02448)
  64. Extraction of organic chemistry grammar from unsupervised learning of chemical reactions

    P. Schwaller, B. Hoover, J.L. Reymond, H. Strobelt, T. Laino
    Sci. Adv. 2021, 7, eabe4166 (doi:10.1126/sciadv.abe4166)
  65. First steps toward sustainable circular uses of chemicals: advancing the assessment and management paradigm

    Z. Wang, S. Hellweg
    ACS Sustainable Chem. Eng. 2021, 9, 6939-6951 (doi:10.1021/acssuschemeng.1c00243)
  66. Grand challenges on accelerating discovery in catalysis

    A. Toniato, A.C. Vaucher, T. Laino
    Catal. Today 2021, 387, 140-142 (doi:10.1016/j.cattod.2021.10.001)
  67. Guidelines for performing lignin-first biorefining

    M.M. Abu-Omar, K. Barta, G.T. Beckham, J.S. Luterbacher, J. Ralph, R. Rinaldi, Y. Román-Leshkov, J.S.M. Samec, B.F. Sels, F. Wang
    Energy Environ. Sci. 2021, 14, 262-292 (doi:10.1039/d0ee02870c)
  68. Hybrid 0D antimony halides as air-stable luminophores for high-spatial-resolution remote thermography

    V. Morad, S. Yakunin, B.M. Benin, Y. Shynkarenko, M.J. Grotevent, I. Shorubalko, S.C. Boehme, M.V. Kovalenko
    Adv. Mater. 2021, 33, 2007355 (doi:10.1002/adma.202007355)
  69. Hydrogen dissociation sites on indium-based ZrO2-supported catalysts for hydrogenation of CO2 to methanol

    A. Tsoukalou, A.I. Serykh, E. Willinger, A. Kierzkowska, P.M. Abdala, A. Fedorov, C.R. Müller
    Catal. Today 2021, 387, 38-46 (doi:10.1016/j.cattod.2021.04.010)
  70. Inferring experimental procedures from text-based representations of chemical reactions

    A.C. Vaucher, P. Schwaller, J. Geluykens, V.H. Nair, A. Iuliano, T. Laino
    Nat. Commun. 2021, 12, 2573 (doi:10.1038/s41467-021-22951-1)
  71. Insights from operando and identical location (IL) techniques on the activation of electrocatalysts for the conversion of CO2: A mini-review

    A. Dutta, K. Kiran, M. Rahaman, I. Zelocualtecatl Montiel, P. Moreno-García, S. Vesztergom, J. Drnec, M. Oezaslan, P. Broekmann
    Chimia 2021, 75, 733-743 (doi:10.2533/chimia.2021.733)
  72. Ligand locking on quantum dot surfaces via a mild reactive surface treatment

    A. Loiudice, O. Segura Lecina, A. Bornet, J.M. Luther, R. Buonsanti
    J. Am. Chem. Soc. 2021, 143, 13418-13427 (doi:10.1021/jacs.1c06777)
  73. Mapping the space of chemical reactions using attention-based neural networks

    P. Schwaller, D. Probst, A.C. Vaucher, V.H. Nair, D. Kreutter, T. Laino, J.L. Reymond
    Nat. Mach. Intell. 2021, 3, 144-152 (doi:10.1038/s42256-020-00284-w)
  74. Methoxycyclization of 1,5-enynes by coinage metal catalysts: is gold always superior?

    M.D. Wodrich, C. Corminboeuf
    Helv. Chim. Acta 2021, 104, e2100134 (doi:10.1002/hlca.202100134)
  75. Modulating chemoselectivity in a Fe(II)/α-ketoglutarate-dependent dioxygenase for the oxidative modification of a nonproteinogenic amino acid

    F. Meyer, R. Frey, M. Ligibel, E. Sager, K. Schroer, R. Snajdrova, R. Buller
    ACS Catal. 2021, 11, 6261-6269 (doi:10.1021/acscatal.1c00678)
  76. Operando laser scattering: probing the evolution of local pH changes on complex electrode architectures

    V. Grozovski, P. Moreno-García, E. Karst, M. de Jesús Gálvez-Vázquez, A. Fluegel, S. Kitayaporn, S. Vesztergom, P. Broekmann
    J. Electrochem. Soc. 2021, 168, 072504 (doi:10.1149/1945-7111/ac1212)
  77. Peering into buried interfaces with X-rays and electrons to unveil MgCO3 formation during CO2 capture in molten salt-promoted MgO

    A.H. Bork, M. Rekhtina, E. Willinger, P. Castro-Fernández, J. Drnec, P.M. Abdala, C.R. Müller
    Proc. Natl. Acad. Sci. U. S. A. 2021, 118, e2103971118 (doi:10.1073/pnas.2103971118)
  78. Perovskite quantum dots for super-resolution optical microscopy: where strong photoluminescence blinking matters

    L.G. Feld, Y. Shynkarenko, F. Krieg, G. Rainò, M.V. Kovalenko
    Adv. Optical Mater. 2021, 2100620 (doi:10.1002/adom.202100620)
  79. Photocatalytic decarboxylative coupling of aliphatic N-hydroxyphthalimide esters with polyfluoroaryl nucleophiles

    X. Yi, R. Mao, L. Lavrencic, X. Hu
    Angew. Chem. Int. Ed. 2021, 60, 23557-23563 (doi:10.1002/anie.202108465)
  80. Photoredox catalytic three-component amidoazidation of 1,3-dienes

    D. Forster, W. Guo, Q. Wang, J. Zhu
    ACS Catal. 2021, 11, 10871-10877 (doi:10.1021/acscatal.1c03545)
  81. Planetary boundaries analysis of low-carbon ammonia production routes

    S.C. D’Angelo, S. Cobo, V. Tulus, A. Nabera, A.J. Martín, J. Pérez-Ramírez, G. Guillén-Gosálbez
    ACS Sustainable Chem. Eng. 2021, 9, 9740-9749 (doi:10.1021/acssuschemeng.1c01915)
  82. Planetary metrics for the absolute environmental sustainability assessment of chemicals

    V. Tulus, J. Pérez-Ramírez, G. Guillén-Gosálbez
    Green Chem. 2021, 23, 9881-9893 (doi:10.1039/d1gc02623b)
  83. Precursor nuclearity and ligand effects in atomically-dispersed heterogeneous iron catalysts for alkyne semi-hydrogenation

    D. Faust Akl, A. Ruiz-Ferrando, E. Fako, R. Hauert, O. Safonova, S. Mitchell, N. López, J. Pérez-Ramírez
    ChemCatChem 2021, 13, 3247-3256 (doi:10.1002/cctc.202100235)
  84. Prediction of chemical reaction yields using deep learning

    P. Schwaller, A.C. Vaucher, T. Laino, J.L. Reymond
    Mach. Learn.: Sci. Technol. 2021, 2, 015016 (doi:10.1088/2632-2153/abc81d)
  85. Preparation of recyclable and versatile porous poly(aryl thioether)s by reversible Pd-catalyzed CS/CS metathesis

    M.A. Rivero-Crespo, G. Toupalas, B. Morandi
    J. Am. Chem. Soc. 2021, 143, 21331-21339 (doi:10.1021/jacs.1c09884)
  86. Process design within planetary boundaries: Application to CO2 based methanol production

    D. Vázquez, G. Guillén-Gosálbez
    Chem. Eng. Sci. 2021, 246, 116891 (doi:10.1016/j.ces.2021.116891)
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