FREE delivery to all EXCLUSIVE BOOKS stores nationwide. FREE delivery to your door on all orders over R450. Excludes all international deliveries.

Transient Changes in Molecular Geometries and How to Model Them

Asmus Ougaard Dohn
    Product form
      FORMAT: Hardback

      R 3,412.76 Price and availability exclusive to website

      YOU COULD EARN 3,412.76 FUTURE RETAIL DISCOUNTS.
      ESTIMATED DELIVERY: Approx. 10 - 15 Business Days
      BUY NOW PAY LATER
      From R 568.79 per month!
      3x monthly payments of R 1,137.58 with
      4x fortnightly payments of R 853.19 with
      This thesis examines various aspects of excess excitation energy dissipation via dynamic changes in molecular structure, vibrational modes and solvation. The computational work is carefully described and the results are compared to experimental data obtained using femtosecond spectroscopy and x-ray scattering. The level of agreement between theory and experiment is impressive and provides both a convincing validation of the method and significant new insights into the chemical dynamics and molecular determinants of the experimental data. Hence, the method presented in the thesis has the potential to become a very important contribution to the rapidly growing field of femtosecond x-ray science, a trend reflected in the several free-electron x-ray lasers (XFELs) currently being built around the world.Light-induced chemical processes are accompanied by molecular motion of electrons and nuclei on the femtosecond time scale. Uncovering these dynamics is central to our understanding of the chemical reaction on a fundamental level.Asmus O. Dohn has implemented a highly efficient QM/MM Direct Dynamics method for predicting the solvation dynamics of transition metal complexes in solution.
      Format: Hardback CONTRIBUTORS: Asmus Ougaard Dohn EAN: 9783319187464 COUNTRY: Switzerland PAGES: WEIGHT: 4026 g HEIGHT: 235 cm
      PUBLISHED BY: Springer International Publishing AG DATE PUBLISHED: 2015-06-25 CITY: GENRE: SCIENCE / Chemistry / Physical & Theoretical, SCIENCE / Spectroscopy & Spectrum Analysis WIDTH: 155 cm SPINE:

      Book Themes:

      Spectrum analysis, spectrochemistry, mass spectrometry, Physical chemistry, Quantum and theoretical chemistry

      Customer Reviews

      Be the first to write a review
      0%
      (0)
      0%
      (0)
      0%
      (0)
      0%
      (0)
      0%
      (0)
      Asmus O. Dohn studied Nano science at the University of Copenhagen, where he focused on structural properties of metallic complexes in solution, analyzed through x-ray and simulation-based methods. He obtained his Masters degree in 2011 with the highest remarks and was awarded the PhD-School Pre-Doc scholarship, for students especially suited for academic careers. He has also worked for the Nano-Science Center on communication/dissemination tasks, both directed towards the general public and for grant applications. His PhD studies included participating in a significant amount of experimental beam times at XFELs and synchrotrons, as well as a stay at the University of Iceland, working on the implementation of more advanced force-fields.
      This thesis examines various aspects of excess excitation energy dissipation via dynamic changes in molecular structure, vibrational modes and solvation. The computational work is carefully described and the results are compared to experimental data obtained using femtosecond spectroscopy and x-ray scattering. The level of agreement between theory and experiment is impressive and provides both a convincing validation of the method and significant new insights into the chemical dynamics and molecular determinants of the experimental data. Hence, the method presented in the thesis has the potential to become a very important contribution to the rapidly growing field of femtosecond x-ray science, a trend reflected in the several free-electron x-ray lasers (XFELs) currently being built around the world.Light-induced chemical processes are accompanied by molecular motion of electrons and nuclei on the femtosecond time scale. Uncovering these dynamics is central to our understanding of the chemical reaction on a fundamental level.Asmus O. Dohn has implemented a highly efficient QM/MM Direct Dynamics method for predicting the solvation dynamics of transition metal complexes in solution.
      Format: Hardback CONTRIBUTORS: Asmus Ougaard Dohn EAN: 9783319187464 COUNTRY: Switzerland PAGES: WEIGHT: 4026 g HEIGHT: 235 cm
      PUBLISHED BY: Springer International Publishing AG DATE PUBLISHED: 2015-06-25 CITY: GENRE: SCIENCE / Chemistry / Physical & Theoretical, SCIENCE / Spectroscopy & Spectrum Analysis WIDTH: 155 cm SPINE:

      Book Themes:

      Spectrum analysis, spectrochemistry, mass spectrometry, Physical chemistry, Quantum and theoretical chemistry

      Customer Reviews

      Be the first to write a review
      0%
      (0)
      0%
      (0)
      0%
      (0)
      0%
      (0)
      0%
      (0)
      Asmus O. Dohn studied Nano science at the University of Copenhagen, where he focused on structural properties of metallic complexes in solution, analyzed through x-ray and simulation-based methods. He obtained his Masters degree in 2011 with the highest remarks and was awarded the PhD-School Pre-Doc scholarship, for students especially suited for academic careers. He has also worked for the Nano-Science Center on communication/dissemination tasks, both directed towards the general public and for grant applications. His PhD studies included participating in a significant amount of experimental beam times at XFELs and synchrotrons, as well as a stay at the University of Iceland, working on the implementation of more advanced force-fields.

      Recently viewed products

      Login

      Forgot your password?

      Don't have an account yet?
      Create account