Journal of Physical Chemistry B 2007 Ivano Tavernelli - Abstracts
Journal of Physical Chemistry B 2007 Ivano Tavernelli | |||||
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 |
This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.