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Keyword [CASSCF]
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1. Quantum Chemical Calculation Of The Excited State Potential Energy Surface Of H2O~+ By Using The CASSCF Method
2. Theoretical Investigation On The Irregular Potential Energy Functions Of Diatomic Molecules
3. The Research On Spectroscopic Properties Of The Ground State And Excited States Of AsO~+Radical And GeO Molecule
4. Raman Spectra Intensity Analysis And Theoretical Calculation In Excited-state Non-radiative Dynamics Of Thio-pyrimidine
5. The Potential Energy Function For The Ground State And Low-Lying Excited States Of BeF, BeO, AlO Molecules
6. The Investigation Of Potential Energy Functions And Spectroscopic Properties Of Ps, Ps~+and Ps~-Diatomic Molecule Systerm
7. Synthesis,Characterization And Properties Of Dinuclear Ln-SMMs Based On Schiff Base Ligands
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