Theoretical study of the pseudo-jahn-teller effect in the edge-sharing bioctahedral complex Mo₂(DXyIF)₂(O₂CCH ₃)₂(μ₂-O)₂

INIS

• space 100%
• jahn-teller effect 100%
• self-consistent field 100%
• mixing 50%
• hydrogen 50%
• excited states 50%
• symmetry 50%
• density functional method 50%

Chemistry

• Point Group C2h 100%
• Jahn-Teller Effect 100%
• CASSCF Calculation 66%
• Point Group D2h 66%
• Methyl Group 33%
• Electronic State 33%
• Excited State 33%
• Density Functional Theory 33%