Dataset.
Supporting Information for Spin mixing in intramolecular singlet fission: A first-principles-based quantum dynamical study
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/372837
Digital.CSIC. Repositorio Institucional del CSIC
- Kathir, R. K.
- Coto, Pedro B.
- Thoss, Michael
Details on the parametrization of zero-field splitting parameters and construction of spin Hamiltonian matrices, relevant plots of the time evolution of spin character, molecular coordinates, molecular orbitals, spin densities., Peer reviewed
DOI: http://hdl.handle.net/10261/372837
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/372837
HANDLE: http://hdl.handle.net/10261/372837
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/372837
Ver en: http://hdl.handle.net/10261/372837
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/372837
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Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/372837
Dataset. 2024
SUPPORTING INFORMATION FOR SPIN MIXING IN INTRAMOLECULAR SINGLET FISSION: A FIRST-PRINCIPLES-BASED QUANTUM DYNAMICAL STUDY
Digital.CSIC. Repositorio Institucional del CSIC
- Kathir, R. K.
- Coto, Pedro B.
- Thoss, Michael
Details on the parametrization of zero-field splitting parameters and construction of spin Hamiltonian matrices, relevant plots of the time evolution of spin character, molecular coordinates, molecular orbitals, spin densities., Peer reviewed
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