Protonation of 5-methylhydantoin and its thio derivatives in the gas phase: A theoretical study

field_of_study

Blank

university

Al-Azhar University – Gaza

authors

Safi Z.S.; Frenking G.

authors_full_names

Safi, Zaki S. (16199979600); Frenking, Gernot (7005542571)

authors_id

16199979600; 7005542571

year

2013

source_title

International Journal of Quantum Chemistry

article_title

Protonation of 5-methylhydantoin and its thio derivatives in the gas phase: A theoretical study

volume

113

issue

7

page_start

908

page_end

915

affiliations

Faculty of Science, Department of Chemistry, Al Azhar University-Gaza, Gaza, P.O. Box 1277, Palestine; Fachbereich Chemie, Philipps-Universität Marburg, D-35043 Marburg, Hans-Meerwein-Strasse, Germany

authors_with_affiliations

Safi Z.S., Faculty of Science, Department of Chemistry, Al Azhar University-Gaza, Gaza, P.O. Box 1277, Palestine; Frenking G., Fachbereich Chemie, Philipps-Universität Marburg, D-35043 Marburg, Hans-Meerwein-Strasse, Germany

corresponding_author

Z.S. Safi; Faculty of Science, Department of Chemistry, Al Azhar University-Gaza, Gaza, P.O. Box 1277, Palestine; email: z.safi@alazhar-gaza.edu

cited_by

16

doi

10.1002/qua.24017

author_keywords

5-methylhydantoin; B3LYP; DFT; energy decomposition analysis; proton affinity

index_keywords

Chemical bonds; Density functional theory; Protons; 5-methylhydantoin; B3LYP; DFT; Energy decomposition analysis; Proton affinity; Protonation