Physical and Biophysical Chemistry

  1. 2013
  2. Published
  3. Published

    Atomic scattering from an adsorbed monolayer solid with a helium beam that penetrates to the substrate. / Hansen, F.Y.; Bruch, L.W.; Dammann, B.

    In: Journal of Chemical Physics, Vol. 138, No. 10, 2013, p. 104705.

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

  4. Published

    Binding of Serotonin to Lipid Membranes. / Peters, Günther H.J.; Wang, Chunhua; Cruys-Bagger, Nicolaj; Velardez, Gustavo; Madsen, Jesper Jonasson; Westh, Peter.

    In: Journal of the American Chemical Society, Vol. 135, No. 6, 2013, p. 2164-2171.

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

  5. Published

    Consistent descriptions of metal–ligand bonds and spin-crossover in inorganic chemistry. / Kepp, Kasper Planeta.

    In: Coordination Chemistry Reviews, Vol. 257, No. 1, 2013, p. 196-209.

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

  6. Published

    Effects of mannose, fructose, and fucose on the structure, stability, and hydration of lysozyme in aqueous solution. / Rahim, Abdoul; Peters, Günther H.J.; Jalkanen, Karl J.; Westh, P.

    In: Current Physical Chemistry, Vol. 3, No. 1, 2013, p. 113-125.

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

  7. Published

    Electrochemical reduction of NiO in a composite electrode. / Hu, Qiang; Jacobsen, Torben; Hansen, Karin Vels; Mogensen, Mogens Bjerg.

    In: Solid State Ionics, Vol. 234, 2013, p. 1-10.

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

  8. Published
  9. Published

    Filming the Birth of Molecules and Accompanying Solvent. / Lee, Jae Hyuk ; Wulff, Michael ; Bratos, Savo ; Petersen, Jakob; Guerin, Laurent ; Leicknam, Jean-Claude ; Cammarata, Marco ; Kong, Qingyu ; Kim, Jeongho ; Møller, Klaus Braagaard; Ihee, Hyotcherl .

    In: American Chemical Society. Journal, Vol. 135, 2013, p. 3255−3261.

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

  10. Published
  11. Published

    Lifetime of the internal reference oxygen sensor. / Hu, Qiang; Jacobsen, Torben; Hansen, Karin Vels; Mogensen, Mogens Bjerg.

    In: Solid State Ionics, Vol. 240, 2013, p. 34-40.

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

  12. Published

    Positively selected sites in cetacean myoglobins contribute to protein stability.. / Dasmeh, Pouria; Serohijos, Adrian W R; Kepp, Kasper P; Shakhnovich, Eugene I.

    In: P L o S Computational Biology, Vol. 9, No. 3, 2013, p. e1002929.

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

  13. Published

    Pulling the Levers of Photophysics: How Structure Controls the Rate of Energy Dissipation. / Kuhlman, Thomas Scheby; Pittelkow, Michael; Sølling, Theis I.; Møller, Klaus Braagaard.

    In: Angewandte Chemie (International Edition), Vol. 52, No. 8, 2013, p. 2247-2250.

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

  14. Published

    Pulling the Levers of Photophysics: How Structure Controls the Rate of Energy Dissipation. / Kuhlman, Thomas Scheby; Pittelkow, Michael; Sølling, Theis I.; Møller, Klaus Braagaard.

    In: Angewandte Chemie, Vol. 125, No. 8, 2013, p. 2303-2306.

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

  15. Published

    Stability mechanisms of a thermophilic laccase probed by molecular dynamics.. / Christensen, Niels Johan; Kepp, Kasper Planeta.

    In: P L o S One, Vol. 8, No. 4, 2013, p. e61985.

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

  16. Accepted
  17. Published

    Ultrafast Librational Relaxation of H2O in Liquid Water. / Petersen, Jakob; Møller, Klaus Braagaard; Rey, Rossend; Hynes, James T.

    In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 117, No. 16, 2013, p. 4541-4552.

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

  18. 2012
  19. Published

    Accurate Stabilities of Laccase Mutants Predicted with a Modified FoldX Protocol. / Christensen, Niels Johan; Kepp, Kasper Planeta.

    In: Journal of Chemical Information and Modeling, 2012, p. 3028-3042.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  20. Published
  21. Published

    A theoretical investigation of the feasibility of Tannor-Rice type control: Application to selective bond breakage in gas-phase dihalomethanes. / Shu, Chuan-Cun; Rozgonyi, Tamas; Gonzalez, Leticia; Henriksen, Niels Engholm.

    In: Journal of Chemical Physics, Vol. 136, No. 17, 2012, p. 174303.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  22. Published

    Between ethylene and polyenes--the non-adiabatic dynamics of cis-dienes.. / Kuhlman, Thomas Scheby; Glover, William J; Mori, Toshifumi; Møller, Klaus Braagaard; Martínez, Todd J.

    In: Faraday Discussions, Vol. 157, 2012, p. 193-212.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  23. Published

    Bioinorganic Chemistry of Alzheimer’s Disease. / Kepp, Kasper Planeta.

    In: Chemical Reviews, Vol. 112, 2012, p. 5193-5239.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  24. Published
  25. Published

    Coherent Motion Reveals Non‐Ergodic Nature of Internal Conversion between Excited States. / Kuhlman, Thomas Scheby; Sølling, Theis I.; Møller, Klaus Braagaard.

    In: ChemPhysChem, Vol. 13, No. 3, 2012, p. 820-827.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  26. Published
  27. Published

    Diffusion of water and selected atoms in DMPC lipid bilayer membranes. / Hansen, Flemming Yssing; Peters, Günther H.J.; Taub, H.; Miskowiec, A.

    In: Journal of Chemical Physics, Vol. 137, No. 20, 2012, p. Paper 204910.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  28. Published
  29. Published

    Guest−Host Interactions Investigated by Time-Resolved X‑ray Spectroscopies and Scattering at MHz Rates: Solvation Dynamics and Photoinduced Spin Transition in Aqueous Fe(bipy)32+. / Haldrup, K; Vankó, G.; Gawelda, W.; Galler, A.; Doumy, G.; March, A. M.; Kanter, E. P.; Bordage, A.; Dohn, A; Brandt van Driel, Tim; Kjær, K. S.; Lemke, H. T.; Canton, S. E.; Uhlig, J.; Sundström, V.; Young, L.; Southworth, S. H.; Nielsen, Martin Meedom; Bressler, C.

    In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 116, No. 40, 2012, p. 9878-9887.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  30. Published

    Improved Internal Reference Oxygen Sensors with Composite Ceramic Electrodes. / Hu, Qiang; Jacobsen, Torben; Hansen, Karin Vels; Mogensen, Mogens Bjerg.

    In: Electrochemical Society. Journal, Vol. 159, No. 10, 2012, p. B811-B817.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  31. Published

    Metal ion controlled self-assembly of a chemically reengineered protein drug studied by small-angle X-ray scattering. / Jesper, Nygaard; Munch, Henrik K. ; Thulstrup, Peter W. ; Christensen, Niels Johan; Hoeg-Jensen, Thomas; Jensen, Knud J. ; Arleth, Lise .

    In: Langmuir, Vol. 28, No. 33, 2012, p. 12159-12170.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  32. Published

    Metallothionein Zn(2+)- and Cu(2+)-clusters from first-principles calculations.. / Greisen, Per Junior; Jespersen, Jakob Berg; Kepp, Kasper Planeta.

    In: Dalton Transactions (Print Edition), Vol. 41, No. 8, 2012, p. 2247-2256.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  33. Published
  34. Published
  35. Published
  36. Published

    Raman Optical Activity and Raman Spectra of Amphetamine Species : Quantum Chemical Model Calculations and Experiments. / Berg, Rolf W.; Shim, Irene; White, Peter Cyril; Abdali, Salim.

    In: American Journal of Analytical Chemistry, Vol. 3, 2012, p. 410-412.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  37. Published

    Simulating the Ultrafast Excited State Dynamics of Cyclopentadiene and 1,2,3,4-tetramethylcyclopentadiene. / Kuhlman, Thomas Scheby; Glover, Will J.; Mori, Toshifumi; Møller, Klaus Braagaard; Martinez, Todd J.

    2012. Poster session presented at CECAM conference, Birmingham, United Kingdom.

    Publication: ResearchPoster – Annual report year: 2012

  38. Published
  39. Published

    Study of water diffusion on single-supported bilayer lipid membranes by quasielastic neutron scattering. / Bai, M.; Miskowiec, A.; Hansen, F. Y.; Taub, H.; Jenkins, T.; Tyagi, M.; Diallo, S. O.; Mamontov, E.; Herwig, K. W.; Wang, S. -K.

    In: Europhysics Letters, Vol. 98, No. 4, 2012, p. -.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  40. Published

    Surprising Intrinsic Photostability of the Disulfide Bridge Common in Proteins. / Stephansen, Anne Boutrup; Brogaard, Rasmus Yding; Kuhlman, Thomas Scheby; Klein, Liv Bærenholdt; Christensen, Jørn Bolstad; Sølling, Theis Ivan.

    In: Journal of the American Chemical Society, Vol. 134, No. 50, 2012, p. 20279-20281.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  41. Published

    Symmetry, vibrational energy redistribution and vibronic coupling: The internal conversion processes of cycloketones. / Kuhlman, Thomas Scheby; Sauer, Stephan P.A.; Sølling, Theis I.; Møller, Klaus Braagaard.

    In: Journal of Chemical Physics, Vol. 137, 2012, p. Paper 22A522.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  42. Published

    Targeting monocytes using a novel liposome based delivery system. / Jensen, Simon Skøde; Johansen, Pia Thermann; Wern, Jeanette Erbo; Gad, Monika; Henriksen, J. R.; Andresen, T. L.

    In: Journal of Immunology, Vol. 137, No. Issue Supplement s1, 2012, p. 769-770.

    Publication: Research - peer-reviewConference abstract in journal – Annual report year: 2012

  43. Published

    The Possible "Proton Sponge " Effect of Polyethylenimine (PEI) Does Not Include Change in Lysosomal pH.. / Benjaminsen, Rikke V; Mattebjerg, Maria A; Henriksen, Jonas R; Moghimi, S Moein; Andresen, Thomas L.

    In: Molecular Therapy, Vol. 21, 2012, p. 149-157.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  44. Published

    Validity of the Bersohn–Zewail model beyond justification. / Petersen, Jakob; Henriksen, Niels Engholm; Møller, Klaus Braagaard.

    In: Chemical Physics Letters, Vol. 539-540, 2012, p. 234-238.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  45. 2011
  46. Published
  47. 2010
  48. Published

    From Buffon's Needle to Partitioning of Polymers in Confining Pores. / Wang, Y.; Hansen, F.Y.; Peters, G.H.J.; Hassager, O.

    2010. Poster session presented at Novel Simulation Approaches to Soft Matter Systems (NSASM10), Dresden, Germany, .

    Publication: ResearchPoster – Annual report year: 2010

  49. Published

    How big are Polymers? : The span dimension as a measure of polymer size. / Hassager, O.; Wang, Y.; Teraoka, I.; Hansen, F.Y.; Peters, G.H.J.

    2010. Paper presented at 6th Annual European Rheology Conference, Göteborg, Sweden.

    Publication: ResearchPaper – Annual report year: 2010

  50. E-pub ahead of print

    Inelastic Helium atom scattering from the commensurate monolayer solid H_2/NaCl(001). / Bruch, L.W.; Hansen, F.Y.

    In: Bulletin of the American Physical Society. Vol. http://meetings.aps.org/link/BAPS.2010.MAR.Z27.4 2010.

    Publication: ResearchConference abstract in proceedings – Annual report year: 2010

  51. E-pub ahead of print

    Self-assembly of submonolayer-coverage organic films. / Corrales, T.P.; Cisternas, E.A.; del Campo, V.; Volkmann, U.G.; Taub, H.; Hansen, F.Y.

    2010. Poster session presented at American Physical Society March Meeting 2010, Portland, OR, United States.

    Publication: ResearchPoster – Annual report year: 2010

  52. E-pub ahead of print

    Studies of the Temperature-Dependent Structure of DMPC bilayer membranes by atimic force spectroscopy. / Miskowiec, A.; Bai, M.; Taub, H.; Hansen, F.Y.

    In: Bulletin of the American Physical Society. Vol. http://meetings.aps.org/link/BAPS.2010.MAR.P13.1 2010.

    Publication: ResearchConference abstract in proceedings – Annual report year: 2010

  53. E-pub ahead of print

    Studies of water diffusion on single-supported bilayer lipid membranes by quasielastic neutron scattering. / Bai, M.; Miskowiecs, A.; Wang, S.K.; Taub, H.; Jenkins, T.; Tyagi, M.; Neumann, D.A.; Hansen, F.Y.

    In: Bulletin of the American Physical Society. Vol. http://meetings.aps.org/link/BAPS.2010.MAR.A28.6 2010.

    Publication: ResearchConference abstract in proceedings – Annual report year: 2010

  54. Published

    The critical molecular size parameter in size exclusion chromatography: Theory and experimental evidence. / Wang, Y.; Teraoka, I.; Hansen, F.Y.; Peters, G.H.J; Hassager, O.

    2010. Poster session presented at International Symposium on Polymer Analysis and Characterization (ISPAC), Pohang, South Korea, .

    Publication: ResearchPoster – Annual report year: 2010

  55. 1995
  56. Published

    New insight in the microscopic mechanism of the catalytic synthesis of ammonia. / Hansen, Flemming Yssing; Henriksen, Niels Engholm; Billing, Gert D.

    In: Surface Science, Vol. 324, No. 1, 1995, p. 55-68.

    Publication: Research - peer-reviewJournal article – Annual report year: 1995

  57. Published

    Theoretical Concepts in Molecular Photodissociation Dynamics. / Henriksen, Niels Engholm.

    In: Advances in Chemical Physics. Vol. 91 John Wiley & Sons Ltd, 1995. p. 433-509 (Advances in Chemical Physics, Vol. 91).

    Publication: Research - peer-reviewBook chapter – Annual report year: 1995

  58. Published

    The surface temperature effect on the dissociative sticking of N2 on Fe(111). / Henriksen, Niels Engholm; Hansen, Flemming Yssing; Billing, Gert Due.

    In: Chemical Physics Letters, Vol. 244, No. 5-6, 1995, p. 350-354.

    Publication: Research - peer-reviewJournal article – Annual report year: 1995

  59. 1994
  60. Published

    Wigner method dynamics in the interaction picture. / Møller, Klaus Braagaard; Dahl, Jens Peder; Henriksen, Niels Engholm.

    In: Journal of Physical Chemistry, Vol. 98, No. 13, 1994, p. 3272-3279.

    Publication: Research - peer-reviewJournal article – Annual report year: 1994

  61. 1992
  62. Published

    Catalytic synthesis of ammonia using vibrationally excited nitrogen : The effect of vibrational relaxation. / Henriksen, Niels Engholm; Billing, Gert D.; Hansen, Flemming Yssing.

    In: Journal of Physical Chemistry, Vol. 96, No. 1, 1992, p. 223-226.

    Publication: Research - peer-reviewJournal article – Annual report year: 1992

  63. Published

    Catalytic synthesis of ammonia using vibrationally excited nitrogen molecules : Theoretical calculation of equilibrium and rate constants. / Hansen, Flemming Yssing; Henriksen, Niels Engholm; Billing, Gert D.; Guldberg, Annette.

    In: Surface Science, Vol. 264, No. 1-2, 1992, p. 225-234.

    Publication: Research - peer-reviewJournal article – Annual report year: 1992

  64. Published

    Gaussian wave packet dynamics and the Landau-Zener model for nonadiabatic transitions. / Henriksen, Niels Engholm.

    In: Chemical Physics Letters, Vol. 197, No. 6, 1992, p. 620-625.

    Publication: Research - peer-reviewJournal article – Annual report year: 1992

  65. Published

    Semiclassical treatment of laser excitation of the hydrogen atom. / Billing, Gert D.; Henriksen, Niels Engholm; Leforestier, C.

    In: Physical Review A (Atomic, Molecular and Optical Physics), Vol. 45, No. 7, 1992, p. R4229-R4232.

    Publication: Research - peer-reviewJournal article – Annual report year: 1992

  66. Published

    The accuracy of the time-dependent self-consistent-field approximation for inelastic collisions. / Henriksen, Niels Engholm; Billing, Gert D.; Hansen, Flemming Yssing.

    In: Chemical Physics Letters, Vol. 199, No. 1-2, 1992, p. 176-186.

    Publication: Research - peer-reviewJournal article – Annual report year: 1992

  67. 1990
  68. Published

    Dissociative chemisorption of N2 on Rhenium : Dynamics at low impact energies. / Billing, Gert D.; Guldberg, Annette; Henriksen, Niels Engholm; Hansen, Flemming Yssing.

    In: Chemical Physics, Vol. 147, No. 1, 1990, p. 1-11.

    Publication: Research - peer-reviewJournal article – Annual report year: 1990

  69. 1988
  70. Published

    Phase space representation of quantum mechanics : Approximate dynamics of the Morse oscillator. / Henriksen, Niels Engholm; Billing, G. D.; Hansen, Flemming Yssing.

    In: Chemical Physics Letters, Vol. 149, No. 4, 1988, p. 397–403.

    Publication: Research - peer-reviewJournal article – Annual report year: 1988

  71. Published
  72. 1987
  73. Published

    Test of the Wigner method for the photodissociation of symmetric triatomic molecules. / Henriksen, Niels Engholm; Engel, V.; Schinke, R.

    In: Journal of Chemical Physics, Vol. 86, No. 12, 1987, p. 6862-6870.

    Publication: Research - peer-reviewJournal article – Annual report year: 1987

  74. 1985
  75. Published

    The Wigner method applied to the photodissociation of CH3I. / Henriksen, Niels Engholm.

    In: Chemical Physics Letters, Vol. 121, No. 1-2, 1985, p. 139-142.

    Publication: Research - peer-reviewJournal article – Annual report year: 1985