Einar Uggerud

Summary

Affiliation: University of Oslo
Country: Norway

Publications

  1. doi request reprint The dissociation of glycolate-astrochemical and prebiotic relevance
    Anton Simakov
    Mass Spectrometry Laboratory and Centre for Theoretical and Computational Chemistry CTCC, Department of Chemistry, University of Oslo, P O Box 1033 Blindern, N 0315 Oslo, Norway
    Phys Chem Chem Phys 15:16615-25. 2013
  2. ncbi request reprint Proton mobility and stability of water clusters containing the bisulfate anion, HSO4(-)(H2O)n
    Alexey S Zatula
    Mass Spectrometry Laboratory and Centre of Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, POB 1033 Blindern, N 0315 Oslo, Norway
    Phys Chem Chem Phys 13:13287-94. 2011
  3. doi request reprint Proton mobility in water clusters
    Mauritz Johan Ryding
    Mass Spectrometry Laboratory and Centre of Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, POB 1033 Blindern, NO 0315 Oslo, Norway
    Eur J Mass Spectrom (Chichester, Eng) 18:215-22. 2012
  4. doi request reprint Geometry of the magic number H(+)(H2O)21 water cluster by proxy
    Mauritz Johan Ryding
    Mass Spectrometry Laboratory and Centre for Theoretical and Computational Chemistry CTCC, Department of Chemistry, University of Oslo, P O B 1033 Blindern, NO 0315 Oslo, Norway
    Phys Chem Chem Phys 17:5466-73. 2015
  5. ncbi request reprint Ring opening vs. direct bond scission of the chain in polymeric triazoles under the influence of an external force
    Hans S Smalø
    Department of Chemistry, University of Oslo, P O Box 1033, N 0315 Oslo, Norway
    Chem Commun (Camb) 48:10443-5. 2012
  6. doi request reprint Structural rearrangements and magic numbers in reactions between pyridine-containing water clusters and ammonia
    Mauritz J Ryding
    Mass Spectrometry Laboratory and Centre of Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P O Box 1033 Blindern, NO 0315 Oslo, Norway
    J Phys Chem A 116:4902-8. 2012
  7. doi request reprint Energetics and mechanisms for the unimolecular dissociation of protonated trioses and relationship to proton-mediated formaldehyde polymerization to carbohydrates in interstellar environments
    Anton Simakov
    Mass Spectrometry Laboratory and Centre for Theoretical and Computational Chemistry CTCC, Department of Chemistry, University of Oslo, P O Box 1033 Blindern, N 0315 Oslo, Norway
    J Am Chem Soc 133:20816-22. 2011
  8. doi request reprint Mechanochemistry: the effect of dynamics
    Hans S Smalø
    Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P O Box 1033, N 0315 Oslo, Norway
    J Phys Chem A 118:7683-94. 2014
  9. ncbi request reprint Concerted proton migration along short hydrogen bonded water bridges in bipyridine-water clusters
    Alexey Sergeevich Zatula
    Mass Spectrometry Laboratory and Centre of Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, POB 1033 Blindern, N 0315 Oslo, Norway
    Phys Chem Chem Phys 14:13907-9. 2012
  10. ncbi request reprint Fragmentation of deprotonated glycolaldehyde in the gas phase and relevance to the formose reaction
    Osamu Sekiguchi
    Mass Spectrometry Laboratory and Centre for Theoretical and Computational Chemistry CTCC, Department of Chemistry, University of Oslo, P O B 1033, Blindern, N 0315 Oslo, Norway
    J Phys Chem A 117:11293-6. 2013

Collaborators

Detail Information

Publications12

  1. doi request reprint The dissociation of glycolate-astrochemical and prebiotic relevance
    Anton Simakov
    Mass Spectrometry Laboratory and Centre for Theoretical and Computational Chemistry CTCC, Department of Chemistry, University of Oslo, P O Box 1033 Blindern, N 0315 Oslo, Norway
    Phys Chem Chem Phys 15:16615-25. 2013
    ..We propose that the addition of the complex of OH(-) and CO to CH2O is the most feasible route to gas phase synthesis of glycolate, since all species are abundant in interstellar space. ..
  2. ncbi request reprint Proton mobility and stability of water clusters containing the bisulfate anion, HSO4(-)(H2O)n
    Alexey S Zatula
    Mass Spectrometry Laboratory and Centre of Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, POB 1033 Blindern, N 0315 Oslo, Norway
    Phys Chem Chem Phys 13:13287-94. 2011
    ..In agreement with experimental observations, these calculations suggest pronounced effectiveness of a ''see-saw mechanism'' for pendular proton transfer with increasing HSO(4)(-)(H(2)O)(n) cluster size...
  3. doi request reprint Proton mobility in water clusters
    Mauritz Johan Ryding
    Mass Spectrometry Laboratory and Centre of Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, POB 1033 Blindern, NO 0315 Oslo, Norway
    Eur J Mass Spectrom (Chichester, Eng) 18:215-22. 2012
    ..Detailed low-energy mechanistic pathways for efficient water rearrangement and proton transfer steps, in particular cases along short preformed "wires" of hydrogen bonds, have been identified in consistency with experimental findings...
  4. doi request reprint Geometry of the magic number H(+)(H2O)21 water cluster by proxy
    Mauritz Johan Ryding
    Mass Spectrometry Laboratory and Centre for Theoretical and Computational Chemistry CTCC, Department of Chemistry, University of Oslo, P O B 1033 Blindern, NO 0315 Oslo, Norway
    Phys Chem Chem Phys 17:5466-73. 2015
    ..The experimental findings are supported by ab initio quantum chemical calculations to provide a consistent framework for the interpretation of these kinds of experiments. ..
  5. ncbi request reprint Ring opening vs. direct bond scission of the chain in polymeric triazoles under the influence of an external force
    Hans S Smalø
    Department of Chemistry, University of Oslo, P O Box 1033, N 0315 Oslo, Norway
    Chem Commun (Camb) 48:10443-5. 2012
    ..Experimentally observed ring opening upon sonication can therefore not be explained by a mechanical stretching mechanism alone...
  6. doi request reprint Structural rearrangements and magic numbers in reactions between pyridine-containing water clusters and ammonia
    Mauritz J Ryding
    Mass Spectrometry Laboratory and Centre of Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P O Box 1033 Blindern, NO 0315 Oslo, Norway
    J Phys Chem A 116:4902-8. 2012
    ..This is consistent with the results of high-level ab initio calculations of small protonated pyridine/ammonia/water clusters...
  7. doi request reprint Energetics and mechanisms for the unimolecular dissociation of protonated trioses and relationship to proton-mediated formaldehyde polymerization to carbohydrates in interstellar environments
    Anton Simakov
    Mass Spectrometry Laboratory and Centre for Theoretical and Computational Chemistry CTCC, Department of Chemistry, University of Oslo, P O Box 1033 Blindern, N 0315 Oslo, Norway
    J Am Chem Soc 133:20816-22. 2011
    ....
  8. doi request reprint Mechanochemistry: the effect of dynamics
    Hans S Smalø
    Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P O Box 1033, N 0315 Oslo, Norway
    J Phys Chem A 118:7683-94. 2014
    ..The good qualitative agreement between the DFT and LCM models makes the latter a useful tool to investigate the mechanochemistry of long polymer chains. ..
  9. ncbi request reprint Concerted proton migration along short hydrogen bonded water bridges in bipyridine-water clusters
    Alexey Sergeevich Zatula
    Mass Spectrometry Laboratory and Centre of Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, POB 1033 Blindern, N 0315 Oslo, Norway
    Phys Chem Chem Phys 14:13907-9. 2012
    ..This gives strong support for the idea that the existence of short water wires between the two nitrogen sites is essential to proton migration in water clusters containing basic sites...
  10. ncbi request reprint Fragmentation of deprotonated glycolaldehyde in the gas phase and relevance to the formose reaction
    Osamu Sekiguchi
    Mass Spectrometry Laboratory and Centre for Theoretical and Computational Chemistry CTCC, Department of Chemistry, University of Oslo, P O B 1033, Blindern, N 0315 Oslo, Norway
    J Phys Chem A 117:11293-6. 2013
    ..However, an alternative formation reaction is suggested. ..
  11. ncbi request reprint Microwave spectrum, structure, and quantum chemical studies of a compound of potential astrochemical and astrobiological interest: Z-3-amino-2-propenenitrile
    Eva Askeland
    Department of Chemistry, University of Oslo, Post Office Box 1033 Blindern, NO 0315 Oslo, Norway, UMR CNRS 6226
    J Phys Chem A 110:12572-84. 2006
    ..Although protonated E- and Z-3-aminopropenenitrile in principle may be formed this way, it is more likely that a collision between NH3 and H-C[triple bond]C-C[triple bond]NH+ leads to NH4+ and H-C[triple bond]C-C[triple bond]N...
  12. doi request reprint CO(2) incorporation in hydroxide and hydroperoxide containing water clusters--a unifying mechanism for hydrolysis and protolysis
    Mauritz J Ryding
    Mass Spectrometry Laboratory and Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P O Box 1033 Blindern, N 0315 Oslo, Norway
    Phys Chem Chem Phys 16:9371-82. 2014
    ..The general mechanistic picture is consistent with low enthalpy barriers and that the limiting factors are largely of entropic nature. ..