Site Tools


Hotfix release available: 2024-02-06b "Kaos". upgrade now! [55.2] (what's this?)
Hotfix release available: 2024-02-06a "Kaos". upgrade now! [55.1] (what's this?)
New release available: 2024-02-06 "Kaos". upgrade now! [55] (what's this?)
Hotfix release available: 2023-04-04b "Jack Jackrum". upgrade now! [54.2] (what's this?)
Hotfix release available: 2023-04-04a "Jack Jackrum". upgrade now! [54.1] (what's this?)
New release available: 2023-04-04 "Jack Jackrum". upgrade now! [54] (what's this?)
Hotfix release available: 2022-07-31b "Igor". upgrade now! [53.1] (what's this?)
Hotfix release available: 2022-07-31a "Igor". upgrade now! [53] (what's this?)
New release available: 2022-07-31 "Igor". upgrade now! [52.2] (what's this?)
New release candidate 2 available: rc2022-06-26 "Igor". upgrade now! [52.1] (what's this?)
New release candidate available: 2022-06-26 "Igor". upgrade now! [52] (what's this?)
Hotfix release available: 2020-07-29a "Hogfather". upgrade now! [51.4] (what's this?)
ncpchem:molecules_re_2010_01a

Differences

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

Link to this comparison view

Both sides previous revision Previous revision
ncpchem:molecules_re_2010_01a [2025/03/07 18:21]
111.225.149.100 old revision restored (2024/11/19 14:23)
ncpchem:molecules_re_2010_01a [2025/03/08 18:17] (current)
111.225.149.46 old revision restored (2024/12/24 08:14)
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/molecules_re_2010_01a.txt · Last modified: 2025/03/08 18:17 by 111.225.149.46