Physical Chemistry Chemical Physics

ISSNs: 1463-9076

Royal Society of Chemistry, United Kingdom

FI (2012): 2, ISI indexed (2012): yes

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  1. 2013
  2. Published

    DFT based study of transition metal nano-clusters for electrochemical NH3 production. / Howalt, Jakob Geelmuyden; Bligaard, Thomas ; Rossmeisl, Jan; Vegge, Tejs.

    In: Physical Chemistry Chemical Physics, Vol. 15, 2013, p. 7785-7795.

    Publication: Research - peer-review › Journal article – Annual report year: 2013

  3. Published

    Electrochemistry and in situ scanning tunnelling microscopy of pure and redox-marked DNA- and UNA-based oligonucleotides on Au(111)-electrode surfaces. / Hansen, Allan Glargaard; Salvatore, Princia; Karlsen, K.; Nichols, R.; Wengel, Jesper; Ulstrup, Jens.

    In: Physical Chemistry Chemical Physics, Vol. 15, No. 3, 2013, p. 776-786.

    Publication: Research - peer-review › Journal article – Annual report year: 2013

  4. Published

    First Principles Investigation of Zinc-anode Dissolution in Zinc-air Batteries. / Siahrostami, Samira; Tripkovic, Vladimir; Lundgård, Keld Troen; Jensen, Kristian E.; Hansen, Heine A.; Hummelshøj, Jens Strabo; Mýrdal, Jón Steinar Garðarsson; Vegge, Tejs; Nørskov, Jens K.; Rossmeisl, Jan.

    In: Physical Chemistry Chemical Physics, Vol. 15, 2013, p. 6416-6421.

    Publication: Research - peer-review › Journal article – Annual report year: 2013

  5. Published

    Generalized trends in the formation energies of perovskite oxides. / Zeng, Zhenhua; Calle-Vallejo, Federico; Mogensen, Mogens Bjerg; Rossmeisl, Jan.

    In: Physical Chemistry Chemical Physics, Vol. 15, No. 20, 2013, p. 7526-7533.

    Publication: Research - peer-review › Journal article – Annual report year: 2013

  6. Published

    Origin of electrolyte-dopant dependent sulfur poisoning of SOFC anodes.. / Zeng, Zhenhua; Björketun, Mårten E; Ebbesen, Sune; Mogensen, Mogens B; Rossmeisl, Jan.

    In: Physical Chemistry Chemical Physics, Vol. 15, No. 18, 2013, p. 6769-6772.

    Publication: Research - peer-review › Journal article – Annual report year: 2013

  7. Published

    pH in atomic scale simulations of electrochemical interfaces. / Rossmeisl, Jan; Chan, Karen; Ahmed, Rizwan; Tripkovic, Vladimir; Björketun, Mårten E.

    In: Physical Chemistry Chemical Physics, Vol. 15, No. 25, 2013, p. 10321-10325.

    Publication: Research - peer-review › Journal article – Annual report year: 2013

  8. Published

    Self-sustained carbon monoxide oxidation oscillations on size-selected platinum nanoparticles at atmospheric pressure. / Jensen, Robert; Andersen, Thomas; Nierhoff, Anders Ulrik Fregerslev; Pedersen, Thomas; Hansen, Ole; Dahl, Søren; Chorkendorff, Ib.

    In: Physical Chemistry Chemical Physics, Vol. 15, 2013, p. 2698-2702.

    Publication: Research - peer-review › Journal article – Annual report year: 2012

  9. Published

    Tandem cathode for proton exchange membrane fuel cells. / Siahrostami, Samira; Björketun, Mårten E.; Strasser, Peter; Greeley, Jeff; Rossmeisl, Jan.

    In: Physical Chemistry Chemical Physics, Vol. 15, No. 23, 2013, p. 9326-9334.

    Publication: Research - peer-review › Journal article – Annual report year: 2013

  10. 2012
  11. Published

    A method for finding the ridge between saddle points applied to rare event rate estimates. / Maronsson, Jon Bergmann; Jónsson, Hannes; Vegge, Tejs.

    In: Physical Chemistry Chemical Physics, Vol. 14, No. 8, 2012, p. 2884-2891.

    Publication: Research - peer-review › Journal article – Annual report year: 2012

  12. Published

    A theoretical evaluation of possible transition metal electro-catalysts for N2 reduction. / Skulason, Egill; Bligaard, Thomas; Gudmundsdottir, Sigrıdur; Studt, Felix; Rossmeisl, Jan; Abild-Pedersen, Frank; Vegge, Tejs; Jonsson, Hannes; Nørskov, Jens Kehlet.

    In: Physical Chemistry Chemical Physics, Vol. 14, No. 3, 2012, p. 1235-1245.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  13. Published

    Identifying active surface phases for metal oxide electrocatalysts: a study of manganese oxide bi-functional catalysts for oxygen reduction and water oxidation catalysis. / Su, Hai-Yan; Gorlin, Yelena; Man, Isabela Costinela; Vallejo, Federico Calle; Nørskov, Jens K.; Jaramillo, Thomas F.; Rossmeisl, Jan.

    In: Physical Chemistry Chemical Physics, Vol. 14, No. 40, 2012, p. 14010-14022.

    Publication: Research - peer-review › Journal article – Annual report year: 2012

  14. Published

    Improvement in the assessment of direct and facilitated ion transfers by electrochemically induced redox transformations of common molecular probes. / Zhou, Min; Gan, Shiyu; Zhong, Lijie; Dong, Xiandui; Ulstrup, Jens; Han, Dongxue; Niu, Li.

    In: Physical Chemistry Chemical Physics, Vol. 14, No. 10, 2012, p. 3659-3668.

    Publication: Research - peer-review › Journal article – Annual report year: 2012

  15. Published

    Modeling and computations of the intramolecular electron transfer process in the two-heme protein cytochrome c4. / Natzmutdinov, Renat R.; Bronshtein, Michael D.; Zinkicheva, Tamara T.; Chi, Qijin; Zhang, Jingdong; Ulstrup, Jens.

    In: Physical Chemistry Chemical Physics, Vol. 14, 2012, p. 5953-5965.

    Publication: Research - peer-review › Journal article – Annual report year: 2012

  16. Published

    Monitoring catalysts at work in their final form: spectroscopic investigations on a monolithic catalyst. / Rasmussen, Søren B.; Bañares, Miguel A.; Bazin, Philippe; Due-Hansen, Johannes; Ávila, Pedro; Daturi, Marco.

    In: Physical Chemistry Chemical Physics, Vol. 14, No. 7, 2012, p. 2171-2177.

    Publication: Research - peer-review › Journal article – Annual report year: 2012

  17. Published

    On the pathway of photoexcited electrons: probing photon-to-electron and photon-to-phonon conversions in silicon by ATR-IR. / Karabudak, Engin; Yüce, Emre; Schlautmann, Stefan; Hansen, Ole; Mul, Guido; Gardeniers, Han (J.G.E.).

    In: Physical Chemistry Chemical Physics, Vol. 14, No. 31, 2012, p. 10882-10885.

    Publication: Research - peer-review › Journal article – Annual report year: 2012

  18. Published

    On the stability of a variety of organic photovoltaic devices by IPCE and in situ IPCE analyses – the ISOS-3 inter-laboratory collaboration. / Teran-Escobar, Gerardo; Tanenbaum, David; Voroshazi, Eszter; Hermenau, Martin; Norrman, Kion; Lloyd, Matthew T; Galagan, Yulia; Zimmermann, Birger; Hösel, Markus; Dam, Henrik Friis; Jørgensen, Mikkel; Gevorgyan, Suren; Kudret, Suleyman; Maes, Wouter; Lutsen, Laurence; Vanderzande, Dirk; Würfel, Uli; Andriessen, Ronn; Rösch, Roland; Hoppe, Harald; Rivaton, Agnès; Uzunoglu, Gülsah Y. ; Germack, David; Andreasen, Birgitta; Vesterager Madsen, Morten; Bundgaard, Eva; Krebs, Frederik C; Lira-Cantu, Monica.

    In: Physical Chemistry Chemical Physics, Vol. 14, 2012, p. 11824-11845.

    Publication: Research - peer-review › Journal article – Annual report year: 2012

  19. Published

    Probing the active sites for CO dissociation on ruthenium nanoparticles. / Strebel, Christian Ejersbo; Murphy, Shane; Nielsen, Rasmus Munksgård; Nielsen, Jane Hvolbæk; Chorkendorff, Ib.

    In: Physical Chemistry Chemical Physics, Vol. 14, No. 22, 2012, p. 8005-8012.

    Publication: Research - peer-review › Journal article – Annual report year: 2012

  20. Published

    Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory. / Valdes, Alvaro; Brillet, Jeremie; Graetzel, Michael; Gudmundsdottir, Hildur; Hansen, Heine Anton; Jonsson, Hannes; Kluepfel, Peter; Kroes, Geert-Jan; Le Formal, Florian; Man, Isabela Costinela; Martins, Rafael S.; Norskov, Jens K.; Rossmeisl, Jan; Sivula, Kevin; Vojvodic, Aleksandra; Zäch, Michael.

    In: Physical Chemistry Chemical Physics, Vol. 14, No. 1, 2012, p. 49-70.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  21. Published

    The importance of surface morphology in controlling the selectivity of polycrystalline copper for CO(2) electroreduction.. / Tang, Wei; Peterson, Andrew A; Varela Gasque, Ana Sofia; Jovanov, Zarko; Bech, Lone; Durand, William J; Dahl, Søren; Nørskov, Jens K; Chorkendorff, Ib.

    In: Physical Chemistry Chemical Physics, Vol. 14, No. 1, 2012, p. 76-81.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  22. Published

    TOF-SIMS investigation of degradation pathways occurring in a variety of organic photovoltaic devices – the ISOS-3 inter-laboratory collaboration. / Andreasen, Birgitta; Tanenbaum, David; Hermenau, Martin; Voroshazi, Eszter; Lloyd, Matthew T.; Galagan, Yulia; Zimmernann, Birger; Kudret, Suleyman; Maes, Wouter; Lutsen, Laurence; Vanderzande, Dirk; Würfel, Uli; Andriessen, Ronn; Rösch, Roland; Hoppe, Harald; Teran-Escobar, Gerardo; Lira-Cantu, Monica; Rivaton, Agnès; Uzunoğlu, Gülşah Y.; Germack, David S.; Hösel, Markus; Dam, Henrik Friis; Jørgensen, Mikkel; Gevorgyan, Suren; Vesterager Madsen, Morten; Bundgaard, Eva; Krebs, Frederik C; Norrman, Kion.

    In: Physical Chemistry Chemical Physics, Vol. 14, No. 33, 2012, p. 11780-11799.

    Publication: Research - peer-review › Journal article – Annual report year: 2012

  23. 2011
  24. Published

    Adhesive properties of Staphylococcus epidermidis probed by atomic force microscopy. / Hu, Yifan; Ulstrup, Jens; Zhang, Jingdong; Molin, Søren; Dupres, Vincent.

    In: Physical Chemistry Chemical Physics, Vol. 13, No. 21, 2011, p. 9995-10003.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  25. Published

    A multifaceted approach to hydrogen storage. / Churchard, Andrew J.; Banach, Ewa; Borgschulte, Andreas; Caputo, Riccarda; Chen, Jian-Cheng; Clary, David; Fijalkowski, Karol J.; Geerlings, Hans; Genova, Radostina V.; Grochala, Wojciech; Jaroń, Tomasz; Juanes-Marcos, Juan Carlos; Kasemo, Bengt; Kroes, Geert-Jan; Ljubić, Ivan; Naujoks, Nicola; Nørskov, Jens K.; Olsen, Roar A.; Pendolino, Flavio; Remhof, Arndt; Románszki, Loránd; Tekin, Adem; Vegge, Tejs; Zäch, Michael; Züttel, Andreas.

    In: Physical Chemistry Chemical Physics, Vol. 13, No. 38, 2011, p. 16955-16972.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  26. Published

    Density functional studies of functionalized graphitic materials with late transition metals for oxygen reduction reactions. / Vallejo, Federico Calle; Martinez, Jose Ignacio; Rossmeisl, Jan.

    In: Physical Chemistry Chemical Physics, Vol. 13, No. 34, 2011, p. 15639-15643.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  27. Published

    Electrochemically controlled self-assembled monolayers characterized with molecular and sub-molecular resolution. / Zhang, Jingdong; Welinder, Anna Christina; Chi, Qijin; Ulstrup, Jens.

    In: Physical Chemistry Chemical Physics, Vol. 13, No. 13, 2011, p. 5526-5545.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  28. Published

    Electronic conductivity of Ce(0.9)Gd(0.1)O(1.95-δ) and Ce(0.8)Pr(0.2)O(2-δ): Hebb-Wagner polarisation in the case of redox active dopants and interference.. / Chatzichristodoulou, Christodoulos; Hendriksen, Peter Vang.

    In: Physical Chemistry Chemical Physics, Vol. 13, No. 48, 2011, p. 21558-21572.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  29. Published

    Graphical prediction of quantum interference-induced transmission nodes in functionalized organic molecules. / Markussen, Troels; Stadler, Robert; Thygesen, Kristian Sommer.

    In: Physical Chemistry Chemical Physics, Vol. 13, No. 32, 2011, p. 14311.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  30. Published

    Is the methanation reaction over Ru single crystals structure dependent?. / Vendelbo, Søren Bastholm; Johansson, Martin; Nielsen, Jane Hvolbæk; Chorkendorff, Ib.

    In: Physical Chemistry Chemical Physics, Vol. 13, No. 10, 2011, p. 4486-4493.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  31. Published

    Probing the crossover in CO desorption from single crystal to nanoparticulate Ru model catalysts. / Murphy, Shane; Strebel, Christian Ejersbo; Vendelbo, Søren Bastholm; Conradsen, Christian Nagstrup; Tison, Yann; Nielsen, Kenneth; Bech, Lone; Nielsen, Rasmus Munksgård; Johansson, Martin; Chorkendorff, Ib; Nielsen, Jane Hvolbæk.

    In: Physical Chemistry Chemical Physics, Vol. 13, No. 21, 2011, p. 10333-10341.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  32. Published

    Thermodynamic and kinetic properties of hydrogen defect pairs in SrTiO3 from density functional theory. / Bork, Nicolai Christian; Bonanos, Nikolaos; Rossmeisl, Jan; Vegge, Tejs.

    In: Physical Chemistry Chemical Physics, Vol. 13, No. 33, 2011, p. 15256-15263.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  33. Published

    Universal transition state scaling relations for (de)hydrogenation over transition metals. / Wang, Shengguang; Petzold, Vivien Gabriele; Tripkovic, Vladimir; Kleis, Jesper; Howalt, Jakob Geelmuyden; Skulason, Egill; Fernández, E. M.; Larsen, Britt Hvolbæk; Jones, Glenn; Toftelund, Anja; Falsig, Hanne; Björketun, Mårten; Studt, Felix; Abild-Pedersen, Frank; Rossmeisl, Jan; Nørskov, Jens Kehlet; Bligaard, Thomas.

    In: Physical Chemistry Chemical Physics, Vol. 13, No. 46, 2011, p. 20760-20765.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  34. Published

    Voltammetry and in situ scanning tunnelling spectroscopy of osmium, iron, and ruthenium complexes of 2,2′:6′,2′′-terpyridine covalently linked to Au(111)-electrodes. / Salvatore, Princia; Hansen, Allan Glargaard; Moth-Poulsen, Kasper; Bjørnholm, Thomas; Nichols, Richard John; Ulstrup, Jens.

    In: Physical Chemistry Chemical Physics, Vol. 13, No. 32, 2011, p. 14394-14403.

    Publication: Research - peer-review › Journal article – Annual report year: 2011

  35. 2010
  36. Published

    Adsorption of human insulin on single-crystal gold surfaces investigated by in situ scanning tunnelling microscopy and electrochemistry. / Welinder, Anna Christina; Zhang, Jingdong; Steensgaard, D.B.; Ulstrup, Jens.

    In: Physical Chemistry Chemical Physics, Vol. 12, No. 34, 2010, p. 9999-10011.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  37. Published

    Diffusion of water into SU-8 microcantilevers. / Liu, C.J.; Liu, Y.; Sokuler, M.; Fell, D.; Keller, S.; Boisen, Anja; Butt, H.J.; Auernhammer, G.K.; Bonaccurso, E.

    In: Physical Chemistry Chemical Physics, Vol. 12, No. 35, 2010, p. 10577-10583.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  38. Published

    Electrochemical chlorine evolution at rutile oxide (110) surfaces. / Hansen, Heine Anton; Man, Isabela Costinela; Studt, Felix; Abild-Pedersen, Frank; Bligaard, Thomas; Rossmeisl, Jan.

    In: Physical Chemistry Chemical Physics, Vol. 12, No. 1, 2010, p. 283-290.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  39. Published

    Experimental determination of the Onsager coefficients of transport for Ce0.8Pr0.2O2−δ. / Chatzichristodoulou, Christodoulos; Park, Woo-Seok; Kim, Hong-Seok; Hendriksen, Peter Vang; Yoo, Han-Ill.

    In: Physical Chemistry Chemical Physics, Vol. 12, No. 33, 2010, p. 9637-9649.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  40. Published

    Oscillatory behaviour of catalytic properties, structure and temperature during the catalytic partial oxidation of methane on Pd/Al2O3. / Kimmerle, B.; Baiker, A.; Grunwaldt, Jan-Dierk.

    In: Physical Chemistry Chemical Physics, Vol. 12, No. 10, 2010, p. 2288-2291.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  41. Published

    Role of Bi promotion and solvent in platinum-catalyzed alcohol oxidation probed by in situ X-ray absorption and ATR-IR spectroscopy. / Mondelli, C.; Grunwaldt, Jan-Dierk; Ferri, D.; Baiker, A.

    In: Physical Chemistry Chemical Physics, Vol. 12, No. 20, 2010, p. 5307-5316.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  42. Published

    Screening of electrocatalytic materials for hydrogen evolution. / Björketun, Mårten; Bondarenko, Alexander S.; Abrams, Billie; Chorkendorff, Ib; Rossmeisl, Jan.

    In: Physical Chemistry Chemical Physics, Vol. 12, No. 35, 2010, p. 10536-10541.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  43. External

    Structure of a short-lived excited state trinuclear Ag–Pt–Pt complex in aqueous solution by time resolved X-ray scattering. / Christensen, Morten; Haldrup, Martin Kristoffer; Kjær, Kasper S.; Cammarata, Marco; Wulff, Michael; Bechgaard, Klaus; Weihe, Høgni; Harrit, Niels H.; Nielsen, Martin Meedom.

    In: Physical Chemistry Chemical Physics, Vol. 12, 2010, p. 6921-6923.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  44. External

    Trityl biradicals and (13)C dynamic nuclear polarization. / Macholl, Sven; Johannesson, Haukur; Ardenkjær-Larsen, Jan Henrik.

    In: Physical Chemistry Chemical Physics, Vol. 12, No. 22, 2010, p. 5804-5817.

    Publication: Research - peer-review › Journal article – Annual report year: 2010

  45. 2009
  46. Published

    Modelling energy level alignment at organic interfaces and density functional theory. / Flores, F.; Ortega, J.; Vazquez, Patricia.

    In: Physical Chemistry Chemical Physics, Vol. 11, No. 39, 2009, p. 8658-8675.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  47. Published

    Operando X-ray absorption spectroscopy studies on Pd-SnO2 based sensors,. / Koziej, D.; Hübner, M.; Barsan, N.; Weimar, U.; Sikora, M.; Grunwaldt, Jan-Dierk.

    In: Physical Chemistry Chemical Physics, Vol. 11, No. 38, 2009, p. 8620-8625.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  48. Published

    Structural changes of noble metal catalysts during ignition and extinction of the partial oxidation of methane studied by advanced QEXAFS techniques. / Grunwaldt, Jan-Dierk; Beier, M.; Kimmerle, B.; Baiker, A.; Nachtegaal, M.; Griesebock, B.; Lutzenkirchen-Hecht, D.; Stotzeld, J.; Frahm, R.

    In: Physical Chemistry Chemical Physics, Vol. 11, No. 39, 2009, p. 8779-8789.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  49. External

    The influence of water and pH on adsorption and oxidation of CO on Pd/Al2O3-an investigation by attenuated total reflection infrared spectroscopy. / Ebbesen, Sune; Mojet, Barbara L.; Lefferts, Leon.

    In: Physical Chemistry Chemical Physics, Vol. 11, No. 4, 2009, p. 641-649.

    Publication: Research - peer-review › Journal article – Annual report year: 2009

  50. 2008
  51. Published

    BEP relations for N-2 dissociation over stepped transition metal and alloy surfaces. / Fronczek-Munter, Ture Rønved; Bligaard, Thomas; Christensen, Claus H.; Nørskov, Jens Kehlet.

    In: Physical Chemistry Chemical Physics, Vol. 10, No. 34, 2008, p. 5202-5206.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  52. Published

    Effects of conjugation length and resonance enhancement on two-photon absorption in phenylene–vinylene oligomers. / Johnsen, Mette; Paterson, M.J.; Arnbjerg, J.; Christiansen, O.; Nielsen, Christian Bech; Jørgensen, Mikkel; Ogilby, P.R.

    In: Physical Chemistry Chemical Physics, Vol. 10, No. 8, 2008, p. 1177-1191.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  53. External

    Equation of state modeling of the phase equilibria of ionic liquid mixtures at low and high pressure. / Karakatsani, Eirini; Economou, Ioannis ; Kroon, Maaike C.; Bermejo, Maria D.; Peters, Cor J.; Witkamp, Geert-Jan.

    In: Physical Chemistry Chemical Physics, Vol. 10, No. 40, 2008, p. 6160-6168.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  54. Published

    Surface Pourbaix diagrams and oxygen reduction activity of Pt, Ag and Ni(111) surfaces studied by DFT. / Hansen, Heine Anton; Rossmeisl, Jan; Nørskov, Jens Kehlet.

    In: Physical Chemistry Chemical Physics, Vol. 10, No. 25, 2008, p. 3722-3730.

    Publication: Research - peer-review › Journal article – Annual report year: 2008

  55. 2007
  56. Published

    Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode. / Skulason, Egill; Karlberg, Gustav; Rossmeisl, Jan; Pedersen, Thomas Bligaard; Greeley, Jeffrey Philip; Jonsson, Hannes; Nørskov, Jens Kehlet.

    In: Physical Chemistry Chemical Physics, Vol. 9, 2007, p. 3241.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

  57. Published

    Estimations of electric field effects on the oxygen reduction reaction based on the density functional theory. / Karlberg, Gustav; Rossmeisl, Jan; Nørskov, Jens Kehlet.

    In: Physical Chemistry Chemical Physics, Vol. 9, 2007, p. 5158.

    Publication: Research - peer-review › Journal article – Annual report year: 2007

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