A combined molecular dynamics simulation and quantum mechanics study on mercaptopurine interaction with the cucurbit 67 urils Analysis of electronic structure

Authors_
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Page number647-658
Volume number188
IF2.536
Paper TypeFull Paper
Published At2018
Journal GradeISI
Journal TypeTypographic
Journal CountryIran, Islamic Republic Of
Journal IndexJCR،Scopus

Abstract