| Year |
Citation |
Score |
| 2020 |
Sprick RS, Chen Z, Cowan AJ, Bai Y, Aitchison CM, Fang Y, Zwijnenburg MA, Cooper AI, Wang X. Water oxidation with cobalt-loaded linear conjugated polymer photocatalysts. Angewandte Chemie (International Ed. in English). PMID 32596879 DOI: 10.1002/Anie.202008000 |
0.355 |
|
| 2020 |
Yuan Q, Santana-Bonilla A, Zwijnenburg MA, Jelfs KE. Molecular generation targeting desired electronic properties via deep generative models. Nanoscale. PMID 32163074 DOI: 10.1039/C9Nr10687A |
0.319 |
|
| 2020 |
Bai Y, Nakagawa K, Cowan AJ, Aitchison CM, Yamaguchi Y, Zwijnenburg MA, Kudo A, Sprick RS, Cooper AI. Photocatalyst Z-scheme system composed of a linear conjugated polymer and BiVO4 for overall water splitting under visible light Journal of Materials Chemistry. 8: 16283-16290. DOI: 10.1039/D0Ta04754F |
0.347 |
|
| 2020 |
Bai Y, Woods DJ, Wilbraham L, Aitchison CM, Zwijnenburg MA, Sprick RS, Cooper AI. Hydrogen evolution from water using heteroatom substituted fluorene conjugated co-polymers Journal of Materials Chemistry A. 8: 8700-8705. DOI: 10.1039/D0Ta02599B |
0.336 |
|
| 2020 |
Aitchison CM, Kane CM, McMahon DP, Spackman PR, Pulido A, Wang X, Wilbraham L, Chen L, Clowes R, Zwijnenburg MA, Sprick RS, Little MA, Day GM, Cooper AI. Photocatalytic proton reduction by a computationally identified, molecular hydrogen-bonded framework Journal of Materials Chemistry A. 8: 7158-7170. DOI: 10.1039/D0Ta00219D |
0.306 |
|
| 2020 |
Aitchison CM, Sachs M, Little MA, Wilbraham L, Brownbill NJ, Kane CM, Blanc F, Zwijnenburg MA, Durrant JR, Sprick RS, Cooper AI. Structure–activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water Chemical Science. 11: 8744-8756. DOI: 10.1039/D0Sc02675A |
0.335 |
|
| 2020 |
Woods DJ, Hillman SAJ, Pearce D, Wilbraham L, Flagg LQ, Duffy W, McCulloch I, Durrant JR, Guilbert AAY, Zwijnenburg MA, Sprick RS, Nelson J, Cooper AI. Side-chain tuning in conjugated polymer photocatalysts for improved hydrogen production from water Energy and Environmental Science. 13: 1843-1855. DOI: 10.1039/D0Ee01213K |
0.359 |
|
| 2019 |
Meier CB, Clowes R, Berardo E, Jelfs KE, Zwijnenburg MA, Sprick RS, Cooper AI. Structurally Diverse Covalent Triazine-Based Framework Materials for Photocatalytic Hydrogen Evolution from Water. Chemistry of Materials : a Publication of the American Chemical Society. 31: 8830-8838. PMID 32063679 DOI: 10.1021/Acs.Chemmater.9B02825 |
0.745 |
|
| 2019 |
Draper ER, Wilbraham L, Adams DJ, Wallace M, Schweins R, Zwijnenburg MA. Insight into the self-assembly of water-soluble perylene bisimide derivatives through a combined computational and experimental approach. Nanoscale. PMID 31414112 DOI: 10.1039/C9Nr03898A |
0.317 |
|
| 2019 |
Wilbraham L, Sprick RS, Jelfs KE, Zwijnenburg MA. Mapping binary copolymer property space with neural networks. Chemical Science. 10: 4973-4984. PMID 31183046 DOI: 10.1039/C8Sc05710A |
0.322 |
|
| 2019 |
Bai Y, Wilbraham L, Slater BJ, Zwijnenburg MA, Sprick RS, Cooper AI. Accelerated discovery of organic polymer photocatalysts for hydrogen evolution from water through the integration of experiment and theory. Journal of the American Chemical Society. PMID 31074272 DOI: 10.1021/Jacs.9B03591 |
0.364 |
|
| 2019 |
Vogel A, Forster M, Wilbraham L, Smith CL, Cowan AJ, Zwijnenburg MA, Sprick RS, Cooper AI. Photocatalytically active ladder polymers. Faraday Discussions. PMID 30972395 DOI: 10.1039/C8Fd00197A |
0.35 |
|
| 2019 |
Wang Y, Vogel A, Sachs M, Sprick RS, Wilbraham L, Moniz SJA, Godin R, Zwijnenburg MA, Durrant JR, Cooper AI, Tang J. Current understanding and challenges of solar-driven hydrogen generation using polymeric photocatalysts Nature Energy. 4: 746-760. DOI: 10.1038/S41560-019-0456-5 |
0.389 |
|
| 2018 |
Sachs M, Sprick RS, Pearce D, Hillman SAJ, Monti A, Guilbert AAY, Brownbill NJ, Dimitrov S, Shi X, Blanc F, Zwijnenburg MA, Nelson J, Durrant JR, Cooper AI. Understanding structure-activity relationships in linear polymer photocatalysts for hydrogen evolution. Nature Communications. 9: 4968. PMID 30470759 DOI: 10.1038/S41467-018-07420-6 |
0.389 |
|
| 2018 |
Wang X, Chen L, Chong SY, Little MA, Wu Y, Zhu WH, Clowes R, Yan Y, Zwijnenburg MA, Sprick RS, Cooper AI. Sulfone-containing covalent organic frameworks for photocatalytic hydrogen evolution from water. Nature Chemistry. PMID 30275507 DOI: 10.1038/S41557-018-0141-5 |
0.364 |
|
| 2018 |
Wilbraham L, Berardo E, Turcani L, Jelfs KE, Zwijnenburg MA. A high-throughput screening approach for the optoelectronic properties of conjugated polymers. Journal of Chemical Information and Modeling. PMID 29940733 DOI: 10.1021/Acs.Jcim.8B00256 |
0.732 |
|
| 2018 |
Sprick RS, Bonillo B, Clowes R, Guiglion P, Brownbill NJ, Slater BJ, Blanc F, Zwijnenburg MA, Adams DJ, Cooper AI. Corrigendum: Visible-Light-Driven Hydrogen Evolution Using Planarized Conjugated Polymer Photocatalysts. Angewandte Chemie (International Ed. in English). 57: 2520. PMID 29485756 DOI: 10.1002/Anie.201800571 |
0.307 |
|
| 2018 |
Sprick RS, Aitchison C, Berardo E, Turcani L, Wilbraham L, Alston BM, Jelfs KE, Zwijnenburg MA, Cooper AI. Maximising the hydrogen evolution activity in organic photocatalysts by co-polymerisation Journal of Materials Chemistry A. 6: 11994-12003. DOI: 10.1039/C8Ta04186E |
0.723 |
|
| 2018 |
Sprick RS, Bai Y, Guilbert AAY, Zbiri M, Aitchison CM, Wilbraham L, Yan Y, Woods DJ, Zwijnenburg MA, Cooper AI. Photocatalytic Hydrogen Evolution from Water Using Fluorene and Dibenzothiophene Sulfone-Conjugated Microporous and Linear Polymers Chemistry of Materials. 31: 305-313. DOI: 10.1021/Acs.Chemmater.8B02833 |
0.355 |
|
| 2018 |
Sprick RS, Wilbraham L, Bai Y, Guiglion P, Monti A, Clowes R, Cooper AI, Zwijnenburg MA. Nitrogen Containing Linear Poly(phenylene) Derivatives for Photo-catalytic Hydrogen Evolution from Water Chemistry of Materials. 30: 5733-5742. DOI: 10.1021/Acs.Chemmater.8B02501 |
0.404 |
|
| 2017 |
Berardo E, Kaplan F, Bhaskaran-Nair K, Shelton WA, van Setten MJ, Kowalski K, Zwijnenburg MA. Benchmarking the Fundamental Electronic Properties of small TiO2 Nanoclusters by GW and Coupled Cluster Theory Calculations. Journal of Chemical Theory and Computation. PMID 28628314 DOI: 10.1021/Acs.Jctc.7B00538 |
0.73 |
|
| 2017 |
Muuronen M, Parker SM, Berardo E, Le A, Zwijnenburg MA, Furche F. Mechanism of photocatalytic water oxidation on small TiO2 nanoparticles. Chemical Science. 8: 2179-2183. PMID 28507672 DOI: 10.1039/C6Sc04378J |
0.756 |
|
| 2017 |
Godin R, Wang Y, Zwijnenburg MA, Tang J, Durrant JR. Time-Resolved Spectroscopic Investigation of Charge Trapping in Carbon Nitrides Photocatalysts for Hydrogen Generation. Journal of the American Chemical Society. PMID 28319382 DOI: 10.1021/Jacs.7B01547 |
0.384 |
|
| 2017 |
Guiglion P, Monti A, Zwijnenburg MA. Validating a Density Functional Theory Approach for Predicting the Redox Potentials Associated with Charge Carriers and Excitons in Polymeric Photocatalysts The Journal of Physical Chemistry C. 121: 1498-1506. DOI: 10.1021/Acs.Jpcc.6B11133 |
0.401 |
|
| 2017 |
Meier CB, Sprick RS, Monti A, Guiglion P, Lee JM, Zwijnenburg MA, Cooper AI. Structure-property relationships for covalent triazine-based frameworks: The effect of spacer length on photocatalytic hydrogen evolution from water Polymer. 126: 283-290. DOI: 10.1016/J.Polymer.2017.04.017 |
0.398 |
|
| 2017 |
Escher SG, Lazauskas T, Zwijnenburg MA, Woodley SM. Structure prediction of (BaO) n nanoclusters forn⩽24using an evolutionary algorithm Computational and Theoretical Chemistry. 1107: 74-81. DOI: 10.1016/J.Comptc.2017.01.010 |
0.347 |
|
| 2016 |
Zwijnenburg MA, Berardo E, Peveler WJ, Jelfs KE. Amine Molecular Cages as Supramolecular Fluorescent Explosive Sensors; a Computational Perspective. The Journal of Physical Chemistry. B. PMID 27149567 DOI: 10.1021/Acs.Jpcb.6B03059 |
0.713 |
|
| 2016 |
Guiglion P, Berardo E, Butchosa C, Wobbe MC, Zwijnenburg MA. Modelling materials for solar fuel synthesis by artificial photosynthesis; predicting the optical, electronic and redox properties of photocatalysts. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 074001. PMID 26808228 DOI: 10.1088/0953-8984/28/7/074001 |
0.749 |
|
| 2016 |
Walsh JJ, Lee JR, Draper ER, King SM, Jäckel F, Zwijnenburg MA, Adams DJ, Cowan AJ. Controlling Visible Light Driven Photoconductivity in Self-Assembled Perylene Bisimide Structures Journal of Physical Chemistry C. 120: 18479-18486. DOI: 10.1021/Acs.Jpcc.6B06222 |
0.341 |
|
| 2016 |
Guiglion P, Butchosa C, Zwijnenburg MA. Polymer photocatalysts for water splitting: Insights from computational modeling Macromolecular Chemistry and Physics. 217: 344-353. DOI: 10.1002/Macp.201500432 |
0.36 |
|
| 2015 |
Sprick RS, Bonillo B, Clowes R, Guiglion P, Brownbill NJ, Slater BJ, Blanc F, Zwijnenburg MA, Adams DJ, Cooper AI. Visible Light-Driven Hydrogen Evolution Using Planarized Conjugated Polymer Photocatalysts. Angewandte Chemie (International Ed. in English). PMID 26696450 DOI: 10.1002/Anie.201510542 |
0.317 |
|
| 2015 |
Wobbe MC, Zwijnenburg MA. Chemical trends in the optical properties of rocksalt nanoparticles. Physical Chemistry Chemical Physics : Pccp. 17: 28892-900. PMID 26456027 DOI: 10.1039/C5Cp04851F |
0.398 |
|
| 2015 |
Guiglion P, Zwijnenburg MA. Contrasting the optical properties of the different isomers of oligophenylene. Physical Chemistry Chemical Physics : Pccp. 17: 17854-63. PMID 26089285 DOI: 10.1039/C5Cp01916H |
0.386 |
|
| 2015 |
Sprick RS, Jiang JX, Bonillo B, Ren S, Ratvijitvech T, Guiglion P, Zwijnenburg MA, Adams DJ, Cooper AI. Tunable organic photocatalysts for visible-light-driven hydrogen evolution. Journal of the American Chemical Society. 137: 3265-70. PMID 25643993 DOI: 10.1021/Ja511552K |
0.386 |
|
| 2015 |
Berardo E, Zwijnenburg MA. Modeling the water splitting activity of a TiO2 rutile nanoparticle Journal of Physical Chemistry C. 119: 13384-13393. DOI: 10.1021/Acs.Jpcc.5B01512 |
0.753 |
|
| 2014 |
Berardo E, Hu HS, van Dam HJ, Shevlin SA, Woodley SM, Kowalski K, Zwijnenburg MA. Describing Excited State Relaxation and Localization in TiO2 Nanoparticles Using TD-DFT. Journal of Chemical Theory and Computation. 10: 5538-48. PMID 26583237 DOI: 10.1021/Ct500787X |
0.756 |
|
| 2014 |
Wobbe MC, Kerridge A, Zwijnenburg MA. Optical excitation of MgO nanoparticles; a computational perspective. Physical Chemistry Chemical Physics : Pccp. 16: 22052-61. PMID 25207882 DOI: 10.1039/C4Cp03442B |
0.415 |
|
| 2014 |
Berardo E, Hu HS, Shevlin SA, Woodley SM, Kowalski K, Zwijnenburg MA. Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description. Journal of Chemical Theory and Computation. 10: 1189-1199. PMID 24795544 DOI: 10.1021/Ct4010273 |
0.769 |
|
| 2014 |
Guiglion P, Butchosa C, Zwijnenburg MA. Polymeric watersplitting photocatalysts; A computational perspective on the water oxidation conundrum Journal of Materials Chemistry A. 2: 11996-12004. DOI: 10.1039/C4Ta02044H |
0.345 |
|
| 2014 |
Butchosa C, Guiglion P, Zwijnenburg MA. Carbon nitride photocatalysts for water splitting: A computational perspective Journal of Physical Chemistry C. 118: 24833-24842. DOI: 10.1021/Jp507372N |
0.406 |
|
| 2014 |
Butchosa C, McDonald TO, Cooper AI, Adams DJ, Zwijnenburg MA. Shining a light on s-triazine-based polymers Journal of Physical Chemistry C. 118: 4314-4324. DOI: 10.1021/Jp411854F |
0.397 |
|
| 2014 |
Berardo E, Hu HS, Van Dam HJJ, Shevlin SA, Woodley SM, Kowalski K, Zwijnenburg MA. Describing excited state relaxation and localization in TiO2 nanoparticles using TD-DFT Journal of Chemical Theory and Computation. 10: 5538-5548. DOI: 10.1021/ct500787x |
0.728 |
|
| 2013 |
Zwijnenburg MA, Cheng G, McDonald TO, Jelfs KE, Jiang JX, Ren S, Hasell T, Blanc F, Cooper AI, Adams DJ. Shedding Light on Structure-Property Relationships for Conjugated Microporous Polymers: The Importance of Rings and Strain. Macromolecules. 46: 7696-7704. PMID 24159243 DOI: 10.1021/Ma401311S |
0.39 |
|
| 2013 |
Berardo E, Hu HS, Kowalski K, Zwijnenburg MA. Coupled cluster calculations on TiO2 nanoclusters. The Journal of Chemical Physics. 139: 064313. PMID 23947861 DOI: 10.1063/1.4817536 |
0.747 |
|
| 2013 |
Zwijnenburg MA. Excited state localisation cascades in inorganic semiconductor nanoparticles. Physical Chemistry Chemical Physics : Pccp. 15: 11119-27. PMID 23722444 DOI: 10.1039/C3Cp50800E |
0.378 |
|
| 2012 |
Zwijnenburg MA, Illas F, Bromley ST. Long range coupling between defect centres in inorganic nanostructures: valence alternation pairs in nanoscale silica. The Journal of Chemical Physics. 137: 154313. PMID 23083171 DOI: 10.1063/1.4758461 |
0.336 |
|
| 2012 |
Zwijnenburg MA. Photoluminescence in semiconductor nanoparticles: an atomistic view of excited state relaxation in nanosized ZnS. Nanoscale. 4: 3711-7. PMID 22595975 DOI: 10.1039/C2Nr30191A |
0.422 |
|
| 2012 |
Zwijnenburg MA. Elucidating the microscopic origin of the unique optical properties of polypyrene Journal of Physical Chemistry C. 116: 20191-20198. DOI: 10.1021/Jp305146P |
0.403 |
|
| 2011 |
Zwijnenburg MA. Optical excitations in stoichiometric uncapped ZnS nanostructures Nanoscale. 3: 3780-3787. PMID 21829808 DOI: 10.1039/C1Nr10486A |
0.368 |
|
| 2011 |
Zwijnenburg MA, Illas F, Bromley ST. The fate of optical excitations in small hydrated ZnS clusters: a theoretical study into the effect of hydration on the excitation and localisation of electrons in Zn4S4 and Zn6S6. Physical Chemistry Chemical Physics : Pccp. 13: 9311-7. PMID 21472177 DOI: 10.1039/C1Cp20298G |
0.414 |
|
| 2011 |
Zwijnenburg MA, Sousa C, Illas F, Bromley ST. The fate of optical excitations in small polyhedral ZnS clusters: a theoretical study of the excitation and localization of electrons in Zn4S4 and Zn6S6. The Journal of Chemical Physics. 134: 064511. PMID 21322709 DOI: 10.1063/1.3536501 |
0.389 |
|
| 2011 |
Zwijnenburg MA, Bromley ST. Structural richness of ionic binary materials: An exploration of the energy landscape of magnesium oxide Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.024104 |
0.322 |
|
| 2011 |
Zwijnenburg MA, Bromley ST. Structure direction in zinc oxide and related materials by cation substitution: An analogy with zeolites Journal of Materials Chemistry. 21: 15255-15261. DOI: 10.1039/C1Jm12383A |
0.331 |
|
| 2010 |
Zwijnenburg MA, Jelfs KE, Bromley ST. An extensive theoretical survey of low-density allotropy in silicon. Physical Chemistry Chemical Physics : Pccp. 12: 8505-12. PMID 20567753 DOI: 10.1039/C004375C |
0.327 |
|
| 2009 |
Zwijnenburg MA, Sokol AA, Sousa C, Bromley ST. The effect of local environment on photoluminescence: A time-dependent density functional theory study of silanone groups on the surface of silica nanostructures Journal of Chemical Physics. 131. PMID 19624219 DOI: 10.1063/1.3155083 |
0.398 |
|
| 2008 |
Zwijnenburg MA, Corà F, Bell RG. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline BeF2, BeCl2, SiO2, and SiS2. Journal of the American Chemical Society. 130: 11082-7. PMID 18651739 DOI: 10.1021/Ja8026967 |
0.332 |
|
| 2008 |
Zwijnenburg MA, Sousa C, Sokol AA, Bromley ST. Optical excitations of defects in realistic nanoscale silica clusters: comparing the performance of density functional theory using hybrid functionals with correlated wavefunction methods. The Journal of Chemical Physics. 129: 014706. PMID 18624495 DOI: 10.1063/1.2943147 |
0.38 |
|
| 2008 |
Zwijnenburg MA, Bell RG. Absence of limitations on the framework density and pore size of high-silica zeolites Chemistry of Materials. 20: 3008-3014. DOI: 10.1021/Cm702175Q |
0.32 |
|
| 2008 |
Zwijnenburg MA, Corà F, Bell RG. Going beyond SiO2 and AlPO4: Stabilisation of "strained" hypothetical frameworks in exotic compositions Studies in Surface Science and Catalysis. 174: 695-700. DOI: 10.1016/S0167-2991(08)80292-3 |
0.323 |
|
| 2008 |
Zwijnenburg MA, Bell RG, Corà F. Structure, bonding and physical properties of tetragonal and orthorhombic SiS2 from (hybrid) DFT calculations Journal of Solid State Chemistry. 181: 2480-2487. DOI: 10.1016/J.Jssc.2008.06.006 |
0.361 |
|
| 2007 |
Zwijnenburg MA, Corà F, Bell RG. Dramatic differences between the energy landscapes of SiO(2) and SiS(2) zeotype materials. Journal of the American Chemical Society. 129: 12588-9. PMID 17900111 DOI: 10.1021/Ja0727666 |
0.341 |
|
| 2007 |
Zwijnenburg MA, Corá F, Bell RG. On the performance of DFT and interatomic potentials in predicting the energetics of (three-membered ring-containing) siliceous materials. The Journal of Physical Chemistry. B. 111: 6156-60. PMID 17497770 DOI: 10.1021/Jp071060V |
0.333 |
|
| 2006 |
Van Den Berg AWC, Zwijnenburg MA, Bromley ST, Flikkema E, Bell RG, Jansen JC, Schoonman J. Comparing the influence of framework type on H2 absorption in hypothetical and existing clathrasils: A grand canonical Monte Carlo study Journal of Materials Chemistry. 16: 3285-3290. DOI: 10.1039/B604377A |
0.347 |
|
| 2006 |
Zwijnenburg MA, Huenerbein R, Bell RG, Corà F. A computational study into the (tetrahedral) distortion of TX2 α-quartz materials: The effect of changing the chemical composition away from SiO2 Journal of Solid State Chemistry. 179: 3429-3436. DOI: 10.1016/J.Jssc.2006.07.011 |
0.336 |
|
| 2005 |
Zwijnenburg MA, Simperler A, Wells SA, Bell RG. Tetrahedral distortion and energetic packing penalty in "zeolite" frameworks: linked phenomena? The Journal of Physical Chemistry. B. 109: 14783-5. PMID 16852869 DOI: 10.1021/Jp0531309 |
0.31 |
|
| 2004 |
Zwijnenburg MA, Bromley ST, Foster MD, Bell RG, Delgado-Friedrichs O, Jansen JC, Maschmeyer T. Toward understanding the thermodynamic viability of zeolites and related frameworks through a simple topological model Chemistry of Materials. 16: 3809-3820. DOI: 10.1021/Cm049256K |
0.345 |
|
| 2004 |
Zwijnenburg MA, Bromley ST, Jansen JC, Maschmeyer T. Toward Understanding Extra-Large-Pore Zeolite Energetics and Topology: A Polyhedral Approach Chemistry of Materials. 16: 12-20. DOI: 10.1021/Cm034132D |
0.313 |
|
| 2004 |
Zwijnenburg MA, Bromley ST, Jansen JC, Maschmeyer T. Towards understanding the energetics and topology of zeolites: A polyhedral approach Studies in Surface Science and Catalysis. 154: 301-307. DOI: 10.1016/S0167-2991(04)80816-4 |
0.317 |
|
| 2004 |
Zwijnenburg MA, Bromley ST, Jansen JC, Maschmeyer T. Computational insights into the role of Ge in stabilising double-four ring containing zeolites Microporous and Mesoporous Materials. 73: 171-174. DOI: 10.1016/J.Micromeso.2004.05.006 |
0.304 |
|
| 2004 |
Zwijnenburg MA, Bromley ST, Flikkema E, Maschmeyer T. Prospects for a synthetic route towards well-defined stoichiometric silica nanoclusters: From siloxane to silica Chemical Physics Letters. 385: 389-393. DOI: 10.1016/J.Cplett.2003.12.106 |
0.38 |
|
| 2003 |
Bromley ST, Zwijnenburg MA, Maschmeyer T. Two-ring vibrational modes on silica surfaces investigated via fully coordinated nanoclusters Surface Science. 539: L554-L559. DOI: 10.1016/S0039-6028(03)00813-6 |
0.325 |
|
| 2002 |
Zwijnenburg MA, Bromley ST, Van Alsenoy C, Maschmeyer T. Factors affecting ionicity in all-silica materials: A density functional cluster study Journal of Physical Chemistry A. 106: 12376-12385. DOI: 10.1021/Jp025696S |
0.355 |
|
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