Multiwfn forum
Multiwfn official website: //www.umsyar.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn
You are not logged in.
- Topics:Active|Unanswered
#12017-10-11 02:45:59
- I_was_a_baby
- Member
-
- Registered: 2017-09-11
- Posts: 29
A simple comparison of several ab initio methods by NMR
Offline
#22017-10-11 10:10:14
Re: A simple comparison of several ab initio methods by NMR
The conclusion is questionable, since no experimental data or exactly computed theoretical values are presented as reference data in the comparison.
Offline
#32017-10-11 11:51:43
- I_was_a_baby
- Member
-
- Registered: 2017-09-11
- Posts: 29
Re: A simple comparison of several ab initio methods by NMR
sobereva wrote:
The conclusion is questionable, since no experimental data or exactly computed theoretical values are presented as reference data in the comparison.
A_simple_comparison_of_several_ab_initio_methods_on_NMR_of_single_water_molecule_modified.pdf
The incorrect conclusion has been deleted. And the new modified article has been uploaded.
Offline