Nan-nan Liu

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Questions related from Nan-nan Liu

Under which conditions could 2-center-3-electron half bond exist?

I performed calculations on metal-metal multiple bond. For the Cr-Cr system, one electron on σ*-anti-bonding, two on σ-bonding, one electron on π*-anti-bonding, two on π-bonding, the bond order...

18 January 2014 5,560 2 View

Is this an antibonding molecular orbital or non-bonding molecular orbital？

Figure 1 is the HOMO for (CpCr)2C8H8, Figure 2 is the HOMO-5, i think the HOMO is antibonding while the HOMO-5 is bonding, or they are both non-bonding?

09 September 2013 6,185 16 View