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ncpchem:chiral_field

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ncpchem:chiral_field [2025/10/08 18:47] – old revision restored (2025/07/07 19:01) 57.141.0.12ncpchem:chiral_field [2025/10/10 04:53] (current) – old revision restored (2023/12/03 10:44) 121.91.169.162
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 </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\\ 
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 </WRAP> </WRAP>
 <WRAP column 500px> <WRAP column 500px>
- +Total E<sub>PV</sub> = 1.629E-20 au
-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\\  +
-Central carbon: 2.905E-23 au\\ +
 </WRAP> </WRAP>
 </WRAP> </WRAP>
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 </WRAP> </WRAP>
 <WRAP column 500px> <WRAP column 500px>
-Total E<sub>PV</sub> = -9.436E-23 au\\  +Total E<sub>PV</sub> = -9.436E-23 au
-Centrl carbon: -3.737E-25 au\\ +
 </WRAP> </WRAP>
 </WRAP> </WRAP>
ncpchem/chiral_field.1759949278.txt.gz · Last modified: by 57.141.0.12