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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 [2025/09/01 23:05]
47.128.22.222 old revision restored (2025/08/09 05:43)
+++ ncpchem:molecules_re_2010_01a [2025/09/10 22:23] (current)
216.73.216.44 old revision restored (2025/09/09 05:55)
@@ 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:re_2010_01a_mod25.gif?200|}}

ncpchem/molecules_re_2010_01a.1756760724.txt.gz · Last modified: 2025/09/01 23:05 by 47.128.22.222

ncpchem