Physical and Biophysical Chemistry
- 2013
- Published
Aerobic dive limits of seals with mutant myoglobin using combined thermochemical and physiological data. / Dasmeh, Pouria; Davis, Randall W.; Kepp, Kasper Planeta.
In: Comparative Biochemistry and Physiology. Part A: Molecular & Integrative Physiology, Vol. 164, 2013, p. 119-128.Publication: Research - peer-review › Journal article – Annual report year: 2013
- 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-review › Journal article – Annual report year: 2013
- 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-review › Journal article – Annual report year: 2013
- 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-review › Journal article – Annual report year: 2013
- 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-review › Journal article – Annual report year: 2013
- 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-review › Journal article – Annual report year: 2013
- Published
Field-free molecular orientation induced by single-cycle THz pulses: the role of resonance and quantum interference. / Shu, Chuan-Cun; Henriksen, Niels Engholm.
In: Physical Review A (Atomic, Molecular and Optical Physics), Vol. 87, No. 1, 2013, p. Paper 013408.Publication: Research - peer-review › Journal article – Annual report year: 2013
- 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-review › Journal article – Annual report year: 2013
- Published
High purity H2/H2O/Ni/SZ electrodes at 500º C. / Høgh, Jens Valdemar Thorvald; Hansen, Karin Vels; Norrman, Kion; Chorkendorff, Ib; Jacobsen, Torben; Mogensen, Mogens Bjerg.
In: Solid State Ionics, Vol. 234, 2013, p. 11-18.Publication: Research - peer-review › Journal article – Annual report year: 2013
- 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-review › Journal article – Annual report year: 2013
- 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-review › Journal article – Annual report year: 2013
- 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-review › Journal article – Annual report year: 2013
- 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-review › Journal article – Annual report year: 2013
- 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-review › Journal article – Annual report year: 2013
- Accepted
The Effect of Distal Interactions on O2-Binding to Heme. / Kepp, Kasper Planeta; Dasmeh, Pouria.
In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 2013.Publication: Research - peer-review › Journal article – Annual report year: 2013
- 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-review › Journal article – Annual report year: 2013
- 2012
- 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-review › Journal article – Annual report year: 2012
- Published
A GALA lipopeptide mediates pH- and membrane charge dependent fusion with stable giant unilamellar vesicles. / Etzerodt, Thomas P.; Trier, Sofie; Henriksen, Jonas R.; Andresen, Thomas L.
In: Soft Matter, Vol. 8, No. 21, 2012, p. 5933-5939.Publication: Research - peer-review › Journal article – Annual report year: 2012
- 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-review › Journal article – Annual report year: 2012
- 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-review › Journal article – Annual report year: 2012
- Published
Bioinorganic Chemistry of Alzheimer’s Disease. / Kepp, Kasper Planeta.
In: Chemical Reviews, Vol. 112, 2012, p. 5193-5239.Publication: Research - peer-review › Journal article – Annual report year: 2012
- Published
Charge triggering of self-organized nanoparticles. / Jølck, Rasmus Irming (Inventor); Henriksen, Jonas Rosager (Inventor); Gjetting, Torben (Inventor); Andresen, Thomas Lars (Inventor).
Patent No.: WO 2012/155920 A1. Nov 22, 2012.Publication: Research › Patent – Annual report year: 2012
- 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-review › Journal article – Annual report year: 2012
- Published
Composite Sr- and V-doped LaCrO3/YSZ sensor electrode operating at low oxygen levels. / Lund, Anders; Jacobsen, Torben; Hansen, Karin Vels; Mogensen, Mogens Bjerg.
In: Journal of Solid State Electrochemistry, Vol. 16, No. 6, 2012, p. 2113-2120.Publication: Research - peer-review › Journal article – Annual report year: 2012
- 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-review › Journal article – Annual report year: 2012
- Published
Entrapment of Radionuclides in Nanoparticle Compositions. / Andresen, Thomas Lars (Inventor); Petersen, Anncatrine Luisa (Inventor); Henriksen, Jonas Rosager (Inventor); Rasmussen, Palle (Inventor); kjær, Andreas (Inventor).
IPC No.: A61K47/28. Jun 21, 2012.Publication: Research › Patent – Annual report year: 2012
- 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-review › Journal article – Annual report year: 2012
- 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-review › Journal article – Annual report year: 2012
- 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-review › Journal article – Annual report year: 2012
- 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-review › Journal article – Annual report year: 2012
- Published
On the dirac‐kepler problem. The johnson‐lippmann operator, supersymmetry, and normal‐mode representations : Erratum: International Journal of Quantum Chemistry 1995, 53, 161.. / Dahl, Jens Peder; Jørgensen, Thomas.
In: International Journal of Quantum Chemistry, Vol. 112, No. 14, 2012, p. 2690.Publication: Research - peer-review › Journal article – Annual report year: 2012
- Published
Phase-only shaped laser pulses in optimal control theory: Application to indirect photofragmentation dynamics in the weak-field limit. / Shu, Chuan-Cun; Henriksen, Niels E.
In: Journal of Chemical Physics, Vol. 136, No. 4, 2012, p. 044303.Publication: Research - peer-review › Journal article – Annual report year: 2012
- Published
Protein Dynamics in Organic Media at Varying Water Activity Studied by Molecular Dynamics Simulation. / Wedberg, Nils Hejle Rasmus Ingemar; Abildskov, Jens; Peters, Günther H.J.
In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 116, No. 8, 2012, p. 2575-2585.Publication: Research - peer-review › Journal article – Annual report year: 2012
- 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-review › Journal article – Annual report year: 2012
- 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: Research › Poster – Annual report year: 2012
- Published
Structure–Activity Relationship Study of Selective Excitatory Amino Acid Transporter Subtype 1 (EAAT1) Inhibitor 2-Amino-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (UCPH-101) and Absolute Configurational Assignment Using Infrared and Vibrational Circular Dichroism Spectroscopy in Combination with ab Initio Hartree–Fock Calculations. / Huynh, Tri H.V.; Shim, Irene; Bohr, Henrik; Abrahamsen, Bjarke; Nielsen, Birgitte; Jensen, Anders A.; Bunch, Lennart.
In: Journal of Medicinal Chemistry, Vol. 55, No. 11, 2012, p. 5403-5412.Publication: Research - peer-review › Journal article – Annual report year: 2012
- 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-review › Journal article – Annual report year: 2012
- 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-review › Journal article – Annual report year: 2012
- 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-review › Journal article – Annual report year: 2012
- 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-review › Conference abstract in journal – Annual report year: 2012
- 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-review › Journal article – Annual report year: 2012
- 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-review › Journal article – Annual report year: 2012
- 2011
- Published
Loading technique for preparing radionuclide containing nanoparticles. / Andresen, Thomas Lars (Inventor); Petersen, Anncatrine Luisa (Inventor); Henriksen, Jonas Rosager (Inventor); Rasmussen, Palle (Inventor); Kjær, Andreas (Inventor).
IPC No.: A61K47/48. Jan 20, 2011.Publication: Research › Patent – Annual report year: 2012
- 2010
- 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: Research › Poster – Annual report year: 2010
- 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: Research › Paper – Annual report year: 2010
- 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: Research › Conference abstract in proceedings – Annual report year: 2010
- 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: Research › Poster – Annual report year: 2010
- 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: Research › Conference abstract in proceedings – Annual report year: 2010
- 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: Research › Conference abstract in proceedings – Annual report year: 2010
- 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: Research › Poster – Annual report year: 2010
- 1995
- 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-review › Journal article – Annual report year: 1995
- 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-review › Book chapter – Annual report year: 1995
- 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-review › Journal article – Annual report year: 1995
- 1994
- 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-review › Journal article – Annual report year: 1994
- 1992
- 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-review › Journal article – Annual report year: 1992
- 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-review › Journal article – Annual report year: 1992
- 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-review › Journal article – Annual report year: 1992
- 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-review › Journal article – Annual report year: 1992
- 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-review › Journal article – Annual report year: 1992
- 1990
- 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-review › Journal article – Annual report year: 1990
- 1988
- 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-review › Journal article – Annual report year: 1988
- Published
The equivalence of time-independent and time-dependent calculational techniques for photodissociation probabilities. / Henriksen, Niels Engholm.
In: Comments on Atomic and Molecular Physics , Vol. 21, No. 3, 1988, p. 153-160.Publication: Research › Journal article – Annual report year: 1988
- 1987
- 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-review › Journal article – Annual report year: 1987
- 1985
- 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-review › Journal article – Annual report year: 1985