A theoretical study on (η⁵-C₅H₅)Fe(CO)(PPh₃(C(O) CHMe) anion structure and stereoselectivity

Keyphrases

• PPh3 100%
• Density Functional Theory 100%
• Stereoselectivity 100%
• Anion Structure 100%
• Metalloproteins 50%
• Density Functional Calculations 50%
• Quantum Mechanical Calculations 50%
• QM-MM 50%
• Molecular Mechanics 50%
• Stereospecific 50%
• Stereoselective Synthesis 50%
• Semi-empirical Methods 50%
• Challenging Questions 50%

Chemistry

• Density Functional Theory 100%
• Stereoselectivity 100%
• Metallocene 66%
• Metalloprotein 33%
• Molecular Mechanic 33%
• Stereoselective Synthesis 33%

Material Science

• Density 100%
• Catalysis 66%