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      • Drug nanoparticles
      • Drug solubility
      • Fluid thermodynamics
      • Lipid nanoparticles & RNA
      • Medicine
      • Metal clusters
      • Photo chemistry
      • Quantum effects in chemical reactions
      • Quantum effects in condensed phase simulations
      • Polymer technology
    • Nanoparticle dynamics
    • Solubility
    • Phase separation of polymers
    • Diffusion & convection
    • Heat transfer
    • Combustion chemistry
    • Intestinal and lung absorption
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  1. Science
  2. Publications
  3. Quantum effects in chemical reactions

Science

  • Publications
    • Recent publications
    • Biopharmaceutics
    • Drug nanoparticles
    • Drug solubility
    • Fluid thermodynamics
    • Lipid nanoparticles & RNA
    • Medicine
    • Metal clusters
    • Photo chemistry
    • Quantum effects in chemical reactions
    • Quantum effects in condensed phase simulations
    • Polymer technology
  • Nanoparticle dynamics
  • Solubility
  • Phase separation of polymers
  • Diffusion & convection
  • Heat transfer
  • Combustion chemistry
  • Intestinal and lung absorption
  • Electrochemistry
  • Animations

Quantum effects in chemical reactions  

Classical Wigner method with an effective quantum force: Application to reaction rates
Jens Poulsen, H Li and Gunnar Nyman
J. Chem. Phys. 131, (2009)

The classical Wigner method with an effective quantum force: Application to the collinear H + H2 reaction
Huaqing Li, Jens Poulsen and Gunnar Nyman
J. Phys. Chem. A 115, 7338-7345, (2011)

Tunneling Dynamics Using Classical-like Trajectories with an Effective Quantum Force
Huaqing Li, Jens Poulsen and Gunnar Nyman
J. Phys. Chem. Lett 4, 3013-3018, (2013)

Dynamics of Gaussian Wigner functions derived from a time-dependent variational principle
Jens Aage Poulsen, S. Karl-Mikael Svensson and Gunnar Nyman
AIP Advances 7, 115018, (2017)

Calculation of reaction rate constants from a classical Wigner model based on a Feynman path integral open polymer
S. Karl-Mikael Svensson, Jens Aage Poulsen and Gunnar Nyman
Molecular Physics 119, 1, (2021)

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