Physical Chemistry Chemical Physics

ISSNs: 1463-9076, 1463-9076

Additional searchable ISSN (Electronic): 1463-9084

Royal Society of Chemistry, United Kingdom

BFI (2015): BFI-level 2, ISI indexed (2013): ISI indexed yes

Central database

Journal

  1. 2016
  2. Published

    Correlation between diffusion barriers and alloying energy in binary alloys. / Vej-Hansen, Ulrik Grønbjerg; Rossmeisl, Jan; Stephens, Ifan; Schiøtz, Jakob.

    In: Physical Chemistry Chemical Physics, Vol. 18, No. 4, 2016, p. 3302-3307.

    Publication: Research - peer-reviewJournal article – Annual report year: 2016

  3. Published

    The donor OH stretching–libration dynamics of hydrogen-bonded methanol dimers in cryogenic matrices. / Heger, M.; Andersen, J.; Suhm, M. A.; Larsen, René Wugt.

    In: Physical Chemistry Chemical Physics, Vol. 18, No. 5, 2016, p. 3739-3745.

    Publication: Research - peer-reviewJournal article – Annual report year: 2016

  4. Published

    Unravelling the role of quantum interference in the weak-field laser phase modulation control of photofragment distributions. / García-Vela, Alberto; Henriksen, Niels Engholm.

    In: Physical Chemistry Chemical Physics, Vol. 18, No. 6, 2016, p. 4772-4779.

    Publication: Research - peer-reviewJournal article – Annual report year: 2016

  5. 2015
  6. Published
  7. Published

    Direct observation of the dealloying process of a platinum–yttrium nanoparticle fuel cell cathode and its oxygenated species during the oxygen reduction reaction. / Malacrida, Paolo; Sanchez Casalongue, Hernan G.; Masini, Federico; Kaya, Sarp; Hernandez-Fernandez, Patricia; Deiana, Davide; Ogasawara, Hirohito; Stephens, Ifan; Nilsson, Anders; Chorkendorff, Ib.

    In: Physical Chemistry Chemical Physics, Vol. 17, No. 42, 2015, p. 28121-28128.

    Publication: Research - peer-reviewJournal article – Annual report year: 2015

  8. Published

    Early Regimes of Water Capillary Flow in Slit Silica Nanochannels. / Oyarzua, Elton; Walther, Jens Honore; Mejia, Andres; Zambrano, Harvey.

    In: Physical Chemistry Chemical Physics, Vol. 17, No. 22, 2015, p. 14731-14739.

    Publication: Research - peer-reviewJournal article – Annual report year: 2015

  9. Published
  10. Published

    Hofmeister effect of salt mixtures on thermo-responsive poly(propylene oxide). / Moghaddam, Saeed Zajforoushan; Thormann, Esben.

    In: Physical Chemistry Chemical Physics, Vol. 17, No. 9, 2015, p. 6359-6366.

    Publication: Research - peer-reviewJournal article – Annual report year: 2015

  11. Published
  12. Published

    The influence of large-amplitude librational motion on the hydrogen bond energy for alcohol–water complexes. / Andersen, Jonas; Heimdal, J.; Larsen, René Wugt.

    In: Physical Chemistry Chemical Physics, Vol. 17, No. 37, 2015, p. 23761-23769.

    Publication: Research - peer-reviewJournal article – Annual report year: 2015

  13. Published

    Widely available active sites on Ni2P for electrochemical hydrogen evolution - insights from first principles calculations. / Hansen, Martin Hangaard; Stern, Lucas-Alexandre; Feng, Ligang; Rossmeisl, Jan; Hu, Xile.

    In: Physical Chemistry Chemical Physics, Vol. 17, No. 16, 2015, p. 10823-10829.

    Publication: Research - peer-reviewJournal article – Annual report year: 2015

  14. 2014
  15. Published

    Beyond the volcano limitations in electrocatalysis - oxygen evolution reaction. / Halck, Niels Bendtsen; Petrykin, Valery; Krtil, Petr; Rossmeisl, Jan.

    In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 16, No. 27, 2014, p. 13682-13688.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  16. Published

    Cross-conjugation and quantum interference: a general correlation?. / Valkenier, Hennie; Guedon, Constant M.; Markussen, Troels; Thygesen, Kristian Sommer; van der Molen, Sense J.; Hummelen, Jan C.

    In: Physical Chemistry Chemical Physics, Vol. 16, No. 2, 2014, p. 653-662.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  17. Published

    Defining chemical expansion: the choice of units for the stoichiometric expansion coefficient. / Marrocchelli, Dario; Chatzichristodoulou, Christodoulos; Bishop, Sean R.

    In: Physical Chemistry Chemical Physics, Vol. 16, No. 20, 2014, p. 9229-9232.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  18. Published

    Designing mixed metal halide ammines for ammonia storage using density functional theory and genetic algorithms. / Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich J.; Vegge, Tejs.

    In: Physical Chemistry Chemical Physics, Vol. 16, 2014, p. 19732-19740.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  19. Published

    Elucidating the activity of stepped Pt single crystals for oxygen reduction. / Bandarenka, Aliaksandr S.; Hansen, Heine Anton; Rossmeisl, Jan; Stephens, Ifan.

    In: Physical Chemistry Chemical Physics, Vol. 16, No. 27, 2014, p. 13625-13625.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  20. Published

    Exploring the phase space of time of flight mass selected PtxY nanoparticles.. / Masini, Federico; Hernandez-Fernandez, Patricia; Deiana, Davide; Strebel, Christian Ejersbo; McCarthy, David Norman; Bodin, Anders; Malacrida, Paolo; Stephens, Ifan; Chorkendorff, Ib.

    In: Physical Chemistry Chemical Physics, Vol. 16, No. 48, 2014, p. 26506-26513.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  21. Published

    Faradaic efficiency of O2 evolution on metal nanoparticle sensitized hematite photoanodes. / Iandolo, Beniamino; Wickman, Björn; Seger, Brian; Chorkendorff, Ib; Zoric, Igor; Hellman, Anders.

    In: Physical Chemistry Chemical Physics, Vol. 16, No. 3, 2014, p. 1271-1275.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  22. Published

    Hexamethylcyclopentadiene: time-resolved photoelectron spectroscopy and ab initio multiple spawning simulations. / Wolf, T. J. A.; Kuhlman, Thomas Scheby; Schalk, O.; Martínez, T. J.; Møller, Klaus Braagaard; Stolow, A.; Unterreiner, A.-N.

    In: Physical Chemistry Chemical Physics, Vol. 16, 2014, p. 11770-11779.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  23. Published

    H2 production through electro-oxidation of SO2 : identifying the fundamental limitations. / Kriek, Roelof J.; Rossmeisl, Jan; Siahrostami, Samira; Björketun, Mårten.

    In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 16, No. 20, 2014, p. 9572-9579.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  24. Published

    Hydrogen adsorption on bimetallic PdAu(111) surface alloys : minimum adsorption ensemble, ligand and ensemble effects, and ensemble confinement. / Takehiro, Naoki; Liu, Ping; Bergbreiter, Andreas; K. Nørskov, Jens; Behm, R. Juergen.

    In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 16, No. 43, 2014, p. 23930-23943.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  25. Published

    Optical manipulation of single molecules in the living cell. / Norregaard, Kamilla; Jauffred, Liselotte; Berg-Sørensen, Kirstine; Oddershede, Lene B.

    In: Physical Chemistry Chemical Physics, Vol. 16, No. 25, 2014, p. 12614-12624.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  26. Published
  27. Published

    Self-assembly of long chain fatty acids: Effect of a methyl branch. / Liljeblad, Jonathan F. D. ; Tyrode, Eric; Thormann, Esben; Dublanchet, Ann-Claude; Luengo, Gustavo; Johnson, C. Magnus; Rutland, Mark W. .

    In: Physical Chemistry Chemical Physics, Vol. 16, No. 33, 2014, p. 17869-17882.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  28. Published
  29. 2013
  30. Published
  31. Published
  32. Published

    Electrochemical ammonia production on molybdenum nitride nanoclusters. / Howalt, Jakob Geelmuyden; Vegge, Tejs.

    In: Physical Chemistry Chemical Physics, Vol. 15, No. 48, 2013, p. 20957-20965.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  33. 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-reviewJournal article – Annual report year: 2013

  34. Published

    Exploring the conformational and reactive dynamics of biomolecules in solution using an extended version of the glycine reactive force field. / Monti, Susanna; Corozzi, Alessandro; Fristrup, Peter; Joshi, Kaushik L.; Shin, Yun Kyung; Oelschlaeger, Peter; van Duin, Adri C. T.; Barone, Vincenzo.

    In: Physical Chemistry Chemical Physics, Vol. 15, No. 36, 2013, p. 15062-15077.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  35. 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-reviewJournal article – Annual report year: 2013

  36. Published

    Frictional forces between hydrophilic and hydrophobic particle coated nanostructured surfaces. / Hansson, Petra M; Claesson, Per M.; Swerin, Agne; Briscoe, Wuge H; Schoelkopf, Joachim; Gane, Patrick A. C.; Thormann, Esben.

    In: Physical Chemistry Chemical Physics, Vol. 15, No. 41, 2013, p. 17893-17902 .

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  37. 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-reviewJournal article – Annual report year: 2013

  38. Improved cathode for high efficient microbial-catalyzed reduction in microbial electrosynthesis cells. / Nie, Huarong; Zhang, Tian; Cui, Mengmeng; Lu, Haiyun; Lovley, Derek R.; Russell, Thomas P.

    In: Physical Chemistry Chemical Physics, Vol. 15, No. 34, 2013, p. 14290-14294.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  39. Published

    Introducing a standard method for experimental determination of the solvent response in laser pump, x-ray probe time-resolved wide-angle x-ray scattering experiments on systems in solution. / Kjær, Kasper Skov; Brandt van Driel, Tim; Kehres, Jan; Haldrup, Martin Kristoffer; Khakhulin, Dmitry; Bechgaard, Klaus; Cammarata, Marco; Wulff, Michael; Sørensen, Thomas Just; Nielsen, Martin Meedom.

    In: Physical Chemistry Chemical Physics, Vol. 15, No. 36, 2013, p. 15003-15016.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  40. Published
  41. On the sensitivity of hard X-ray spectroscopies to the chemical state of Br. / Bordage, Amelie; Pápai, Mátyás Imre; Sas, Norbert S.; Szlachetko, Jakub; Nachtegaal, Maarten; Vanko, Gyoergy.

    In: Physical Chemistry Chemical Physics, Vol. 15, No. 26, 2013, p. 11088-11098.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  42. Organic solar cells with plasmonic layers formed by laser nanofabrication. / Beliatis, Michail J.; Henley, Simon J.; Han, Seungjin ; Gandhi, Keyur; Adikaari, A. A. D. T. ; Stratakis, Emmanuel ; Kymakis, Emmanuel ; Silva, S. Ravi P.

    In: Physical Chemistry Chemical Physics, Vol. 15, 2013, p. 8237-8244.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  43. 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-reviewJournal article – Annual report year: 2013

  44. 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-reviewJournal article – Annual report year: 2013

  45. Published

    Platinum redispersion on metal oxides in low temperature fuel cells. / Tripkovic, Vladimir; Cerri, Isotta; Nagami, Tetsuo; Bligaard, Thomas ; Rossmeisl, Jan.

    In: Physical Chemistry Chemical Physics, Vol. 15, No. 9, 2013, p. 3279-3285.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  46. Published
  47. Published

    Study of underpotential deposited Cu layers on Pt(111) and their stability against CO and CO2 in perchloric acid. / Schlaup, Christian Georg; Horch, Sebastian.

    In: Physical Chemistry Chemical Physics, Vol. 15, No. 45, 2013, p. 19659-19664.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  48. 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-reviewJournal article – Annual report year: 2013

  49. Published

    Ultrafast electron and energy transfer in dye-sensitized iron oxide and oxyhydroxide nanoparticles. / Gilbert, Benjamin; Katz, Jordan E.; Huse, Nils; Zhang, Xiaoyi; Frandsen, Cathrine; Falcone, Roger W.; Waychunas, Glenn A.

    In: Physical Chemistry Chemical Physics, Vol. 15, No. 40, 2013, p. 17303-17313.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  50. 2012
  51. 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-reviewJournal article – Annual report year: 2012

  52. 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-reviewJournal article – Annual report year: 2011

  53. 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-reviewJournal article – Annual report year: 2012

  54. 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-reviewJournal article – Annual report year: 2012

  55. 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-reviewJournal article – Annual report year: 2012

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