• 6619 Citations
  • 45 h-Index
20002019
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Research Output 2000 2019

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2011

Calculating the Raman and HyperRaman Spectra of Large Molecules and Molecules Interacting with Nanoparticles

Valley, N., Jensen, L., Autschbach, J. & Schatz, G. C., Jul 5 2011, Computational Methods for Large Systems: Electronic Structure Approaches for Biotechnology and Nanotechnology. John Wiley and Sons, p. 493-514 22 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

Density functional theory
Nanoparticles
Molecules
Uracil
Excited states
2008
12 Citations (Scopus)

The Discrete Reaction Field approach for calculating solvent effects

Van Duijnen, P. T., Swart, M. & Jensen, L., Jan 1 2008, Challenges and Advances in Computational Chemistry and Physics. Springer, p. 39-102 64 p. (Challenges and Advances in Computational Chemistry and Physics; vol. 6).

Research output: Chapter in Book/Report/Conference proceedingChapter

Molecular mechanics
field theory (physics)
molecular properties
division
Molecular dynamics