Ab Initio Calculations and NMR Study of 15N Chemical Shielding Tensors of N7- and N9- Substituted Purine Derivatives

TOUŠEK, Jaromír, Radek MAREK and Jiří BRUS. Ab Initio Calculations and NMR Study of 15N Chemical Shielding Tensors of N7- and N9- Substituted Purine Derivatives. In International Chemometric Conference CHEMOMETRIC VI. Brno: Masatyk University, 2002, p. 124. ISBN 80-210-2918-8.

Basic information

• Original name: Ab Initio Calculations and NMR Study of 15N Chemical Shielding Tensors of N7- and N9- Substituted Purine Derivatives
• Authors: TOUŠEK, Jaromír (203 Czech Republic, guarantor), Radek MAREK (203 Czech Republic) and Jiří BRUS (203 Czech Republic).
• Edition: Brno, International Chemometric Conference CHEMOMETRIC VI, p. 124-124, 2002.
• Publisher: Masatyk University

Other information

• Original language: English
• Type of outcome: Proceedings paper
• Field of Study: 10403 Physical chemistry
• Country of publisher: Czech Republic
• Confidentiality degree: is not subject to a state or trade secret
• RIV identification code: RIV/00216224:14310/02:00006547
• Organization unit: Faculty of Science
• ISBN: 80-210-2918-8
• Keywords in English: 15N NMR chemical shifts tensors; Ab initio calculations
• Tags: Ab initio calculations

Abstract

15N MNR parametres of selected adenine and guanine derivatives were investigated using gradient inverse techniques. 15N CP/MAS spectra were recorded and quantum chemical calculations of chemical shielding tensors were carried out.

Links

• MSM 143100005, plan (intention): Name: Strukturně-funkční vztahy biomolekul a jejich role v metabolismu

Investor: Ministry of Education, Youth and Sports of the CR, Biomolecular Structure-function Relationships and their role in the Metabolism