Journal of Physical Chemistry B 2007 Ursula Rothlisberger - Abstracts
| Journal of Physical Chemistry B 2007 Ursula Rothlisberger | |||||
| Title | Subject | Authors | |||
|---|---|---|---|---|---|
| NMR solvent shifts of adenine in aqueous solution from hybrid QM/MM molecular dynamics simulations.(Report) | Chemicals, plastics and rubber industries | Ursula Rothlisberger, Daniel Sebastiani, Christian Gossens, Sittipong Komin, Ivano Tavernelli | |||
| Optical spectra of Cu(II)-azurin by hybrid TDDFT-molecular dynamics simulations. | Chemicals, plastics and rubber industries | Ursula Rothlisberger, Michele Cascella, Ivano Tavernelli, Michel A. Cuendet | |||
| Predicting noncovalent interactions between aromatic biomolecules with London-dispersion-corrected DFT. | Chemicals, plastics and rubber industries | Ursula Rothlisberger, Ivano Tavernelli, I-Chun Lin, O. Anatole von Lilienfeld, Mauricio D. Coutinho-Neto | |||
| Protonation of the chromophore in the photoactive yellow protein. | Chemicals, plastics and rubber industries | Ursula Rothlisberger, Peter G. Bolhuis, Evert Jan Meijer, Elske J.M. Leenders, Leonardo Guidoni, Jocelyne Vreede | |||
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