rhodamine, HBT and HBQ in optical cavities

Beskrivning

QM/MM trajectories of Rhodamine, HBT and HBQ strongly coupled to a single mode cavity. In addition to trajectories, the archive contains topologies and input files. Simulations were performed with Gromacs 4.5.3 interfaced to Terachem 1.93 or Gaussian09. Input files for the latter two programs are also included.

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Publiceringsår

2024

Typ av data

Upphovspersoner

Jyväskylä universitet

Kemian laitos

Gerrit Groenhof - Upphovsperson, Medarbetare, Utgivare

Projekt

Övriga uppgifter

Vetenskapsområden

Kemi

Språk

Öppen tillgång

Öppet

Licens

Creative Commons Attribution 4.0 International (CC BY 4.0)

Nyckelord

Molecular Dynamics, GROMACS, Polariton, Polaritonic Chemistry, QMMM

Ämnesord

Temporal täckning

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