Simone Ripandelli

4 Questions 14 Answers 0 Followers

Questions related from Simone Ripandelli

GROMACS - how to solve problem coming out during a creation of new Force Field?

Following Gromacs Manual and other suggestions from different topics I create a molecule with Avogadro, I decided to employ oplsaa ff (I copied it in a local directory giving a new name) and I...

26 March 2020 4,721 3 View

Does somebody have suggestions about NMR on Pd-Neocuproine complex in its dimeric and monomeric form?

I am looking for somebody to condivide some experience with the NMR analysis of Pd-Neocuproine NMR analysis.

26 September 2014 2,024 2 View

Does anybody work with organometallic Palladium Neocuproine as a homogeneous catalyst?

I am looking for someone which works with Palladium organometallic complex to share our experience with.

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New Molecules in GROMACS

Dear everybody. I'm studying and investigating a new molecule (a polychromatic hydrocarbon - PAH) in GROMACS using Molecular Dynamics. I decide to employ the oplsaa force field (even if I'm not...

01 January 1970 5,787 3 View