DFT calculations of 1H- and 13C-NMR chemical shifts of 3-methyl-1-phenyl-4-(phenyldiazenyl)-1H-pyrazol-5-amine in solution

field_of_study

Blank

university

Al-Azhar University – Gaza

authors

Safi Z.S.; Wazzan N.

authors_full_names

Safi, Zaki S. (16199979600); Wazzan, Nuha (36155094500)

authors_id

16199979600; 36155094500

year

2022

source_title

Scientific Reports

article_title

DFT calculations of 1H- and 13C-NMR chemical shifts of 3-methyl-1-phenyl-4-(phenyldiazenyl)-1H-pyrazol-5-amine in solution

volume

12

issue

1

publisher

Nature Research

article_number

17798

affiliations

Department of Chemistry, Faculty of Science, Al Azhar University-Gaza, P.O. Box 1277, Gaza, Palestine; Chemistry Department, Faculty of Science, King Abdulaziz University, P.O. Box 42805, Jeddah, 21589, Saudi Arabia

authors_with_affiliations

Safi Z.S., Department of Chemistry, Faculty of Science, Al Azhar University-Gaza, P.O. Box 1277, Gaza, Palestine; Wazzan N., Chemistry Department, Faculty of Science, King Abdulaziz University, P.O. Box 42805, Jeddah, 21589, Saudi Arabia

corresponding_author

Z.S. Safi; Department of Chemistry, Faculty of Science, Al Azhar University-Gaza, Gaza, P.O. Box 1277, Palestine; email: zaki.safi@gmail.com

cited_by

25

doi

10.1038/s41598-022-22900-y

index_keywords

Density Functional Theory; Magnetic Resonance Imaging; Magnetic Resonance Spectroscopy; Models, Molecular; 1H-pyrazol-5-amine; density functional theory; molecular model; nuclear magnetic resonance imaging; nuclear magnetic resonance spectroscopy; procedures