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ncpchem:molecules_re_2010_01a

Differences

This shows you the differences between two versions of the page.

--- ncpchem:molecules_re_2010_01a [2025/09/09 05:55]
57.141.0.73 old revision restored (2025/06/14 08:09)
+++ ncpchem:molecules_re_2010_01a [2025/09/10 13:58] (current)
57.141.0.58 old revision restored (2025/06/15 08:09)
@@ 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}}
-=== B3LYP equilibrium structure ===
+===== B3LYP equilibrium structure =====
 <file txt re_2010_01a.xyz>
@@ Line 26: / Line 26: @@
 H     1.838291   -1.631149    1.629053
 </file>
+===== B3LYP simulated IR spectrum =====
+{{:ncpchem:anim.gif?200|}}

ncpchem/molecules_re_2010_01a.txt · Last modified: 2025/09/10 13:58 by 57.141.0.58

ncpchem