Cookies Policy
X

This site uses cookies. By continuing to browse the site you are agreeing to our use of cookies.

I accept this policy

Find out more here

Molecular Orbital and Dft Studies of the Alimemazine Radical Cation

No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
The full text of this article is not currently available.

Brill’s MyBook program is exclusively available on BrillOnline Books and Journals. Students and scholars affiliated with an institution that has purchased a Brill E-Book on the BrillOnline platform automatically have access to the MyBook option for the title(s) acquired by the Library. Brill MyBook is a print-on-demand paperback copy which is sold at a favorably uniform low price.

This Article is currently unavailable for purchase.
Add to Favorites
You must be logged in to use this functionality

Cover image Placeholder

Semiempirical molecular orbital methods including CNDO, MNDO, AM1 and PM3, and density function theory method B3LYP/3-2IG(d) were employed in the study of the alimemazine radical cation. It was found that PM3 was much better than CNDO, MNDO and AM1 in the structural optimization. The bond lengths and bond angles by PM3 were close to the experimental data, and comparable with the results by the density function theory method.

Affiliations: 1: Department of Chemistry, University of Science and Technology of China, Hefei 230026, P. R. CHINA; 2: National Laboratory of Applied Organic Chemistry, Lanzhou University, Lanzhou 730000, P. R. CHINA

10.1163/156856700X00651
/content/journals/10.1163/156856700x00651
dcterms_title,pub_keyword,dcterms_description,pub_author
10
5
Loading
Loading

Full text loading...

/content/journals/10.1163/156856700x00651
Loading

Data & Media loading...

http://brill.metastore.ingenta.com/content/journals/10.1163/156856700x00651
Loading

Article metrics loading...

/content/journals/10.1163/156856700x00651
2017-09-26

Sign-in

Can't access your account?
  • Key

  • Full access
  • Open Access
  • Partial/No accessInformation