Scopus (CiteScore 2022 =3.0, Q3) , ISC
The mechanism of proton transfer and tautomerism in barbituric acid: A theoretical study
The mechanism of proton transfer and tautomerism in barbituric acid: A theoretical study

Mohammad Zakarianezhad; Batool Makiabadi; Motahare Shool; Mahboobeh Hasanpour

Volume 1, Issue 6 , November and December 2019, , Pages 582-594

https://doi.org/10.33945/SAMI/ECC.2019.6.8

Abstract
  Intermolecular proton transfer in barbituric acid (BA) both in the gas phase and in the presence of water molecule was investigated using the B3LYP method with aug-cc-pVDZ basis set. ...  Read More