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ncpchem:molecules_re_2010_01a

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ncpchem:molecules_re_2010_01a [2025/04/22 14:10]
47.128.23.15 old revision restored (2024/10/23 11:04)
ncpchem:molecules_re_2010_01a [2025/04/27 12:02] (current)
47.128.99.220 old revision restored (2025/03/06 22:01)
Line 1: Line 1:
-Working title: re_2010_01a+===== Working title: re_2010_01a =====
 {{:ncpchem:re_2010_01a.png?180|Working title: re_2010_01a}} {{:ncpchem:re_2010_01a.png?180|Working title: re_2010_01a}}
  
-<file re_2010_01a.xyz>+===== B3LYP equilibrium structure ===== 
 + 
 +<file txt re_2010_01a.xyz>
 18 18
  
Line 24: Line 26:
 H     1.838291   -1.631149    1.629053 H     1.838291   -1.631149    1.629053
 </file> </file>
 +
 +
 +===== B3LYP simulated IR spectrum =====
 +{{:ncpchem:anim.gif|}}
ncpchem/molecules_re_2010_01a.1745323840.txt.gz · Last modified: 2025/04/22 14:10 by 47.128.23.15