Matches in SemOpenAlex for { <https://semopenalex.org/work/W2800201456> ?p ?o ?g. }
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- W2800201456 startingPage "15445" @default.
- W2800201456 abstract "Evaluation of SOC values employs Casida's wave functions and the Breit–Pauli spin–orbit Hamiltonian with effective charge approximation." @default.
- W2800201456 created "2018-05-17" @default.
- W2800201456 creator A5046054643 @default.
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- W2800201456 creator A5086032799 @default.
- W2800201456 date "2018-01-01" @default.
- W2800201456 modified "2023-10-17" @default.
- W2800201456 title "Incorporating spin–orbit effects into surface hopping dynamics using the diagonal representation: a linear-response time-dependent density functional theory implementation with applications to 2-thiouracil" @default.
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