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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 [2025/06/06 11:48]
47.128.19.227 old revision restored (2025/03/14 06:13)
+++ ncpchem:molecules_re_2010_01a [2025/06/10 12:34] (current)
47.128.41.243 old revision restored (2025/04/16 18:36)
@@ 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}}
-<file re_2010_01a.xyz>
+===== B3LYP equilibrium structure =====
+<file txt re_2010_01a.xyz>
@@ Line 24: / 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.1749203303.txt.gz · Last modified: 2025/06/06 11:48 by 47.128.19.227

ncpchem