Dataset of theoretical Molecular Electrostatic Potential (MEP), Highest Occupied Molecular Orbital-Lowest Unoccupied Molecular Orbital (HOMO-LUMO) band gap and experimental cole-cole plot of 4-(ortho-, meta- and para-fluorophenyl)thiosemicarbazide isomers-Reference-Cited by-同舟云学术

Dataset of theoretical Molecular Electrostatic Potential (MEP), Highest Occupied Molecular Orbital-Lowest Unoccupied Molecular Orbital (HOMO-LUMO) band gap and experimental cole-cole plot of 4-(ortho-, meta- and para-fluorophenyl)thiosemicarbazide isomers

Published:2020-10 Issue: Volume:32 Page:106299
ISSN:2352-3409
Container-title:Data in Brief
language:en
Short-container-title:Data in Brief

Author:

Silvarajoo Sharmili,Osman Uwaisulqarni M.^ORCID,Kamarudin Khadijah H.,Razali Mohd Hasmizam^ORCID,Yusoff Hanis Mohd^ORCID,Bhat Irshad Ul Haq,Rozaini Mohd Zul Helmi^ORCID,Juahir Yusnita

Funder

Ministry of Higher Education, Malaysia

Publisher

Elsevier BV

Subject

Multidisciplinary

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3. Correlation data of (Z)-1-[4-(trifluoromethyl)benzylidene]thiosemicarbazide via spectroscopic methods and density functional theory studies;Osman;Data Brief,2019

4. Gaussian 03, Revision C.02;Frisch,2004

5. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density;Lee;Phys. Rev. B,1988

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