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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 [2025/07/16 01:41]
43.153.192.98 old revision restored (2025/07/07 10:05)
+++ ncpchem:molecules_re_2010_01a [2025/07/26 22:09] (current)
47.128.44.217 old revision restored (2025/04/23 12:12)
@@ 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 =====
+<file re_2010_01a.xyz>
-<file txt re_2010_01a.xyz>
@@ Line 26: / Line 24: @@
 H     1.838291   -1.631149    1.629053
 </file>
-===== B3LYP simulated IR spectrum =====
-{{:ncpchem:re_2010_01a_ir.jpg?700|}} {{:ncpchem:re_2010_01a_mod25.gif?300|}}
-The most intense mode 25 is at  1026.0 cm<sup>-1</sup>

ncpchem/molecules_re_2010_01a.1752622877.txt.gz · Last modified: 2025/07/16 01:41 by 43.153.192.98

ncpchem