A Study of the Ionization Spectrum of 6,6-Dimethylfulvene Using Algebraic-Diagrammatic Construction and Coupled Cluster Methods
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A（2024）
关键词
6-dimethylfulvene,electronic structure,photoelectron spectra,ionization,quantum-chemical calculations,IP-ADC(3),IP-EOM-CCSD,SAC-CI
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