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ncpchem:chiral_field

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ncpchem:chiral_field [2025/06/08 10:56]
47.128.55.128 old revision restored (2025/04/19 18:09)
ncpchem:chiral_field [2025/06/12 16:35] (current)
47.128.36.154 old revision restored (2024/12/10 22:52)
Line 67: Line 67:
 </WRAP> </WRAP>
 <WRAP column 500px> <WRAP column 500px>
 +r(C-Br): 1.945 Å\\ 
 +r(C-Cl): 1.766 Å\\ 
 +r(C-H):  1.087 Å\\ 
 Total E<sub>PV</sub> = 1.001E-18 au\\  Total E<sub>PV</sub> = 1.001E-18 au\\ 
 Central carbon: 5.523E-20 au\\  Central carbon: 5.523E-20 au\\ 
Line 96: Line 99:
 </WRAP> </WRAP>
 <WRAP column 500px> <WRAP column 500px>
 +
 +r(C-Br): 4.469 Å\\ 
 +r(C-Cl): 4.316 Å\\ 
 +r(C-H):  3.744 Å\\ 
 Total E<sub>PV</sub> = 1.629E-20 au\\  Total E<sub>PV</sub> = 1.629E-20 au\\ 
 Central carbon: 2.905E-23 au\\  Central carbon: 2.905E-23 au\\ 
ncpchem/chiral_field.1749372972.txt.gz · Last modified: 2025/06/08 10:56 by 47.128.55.128