Kalaiarasi N., Manivarman S., AB Initio (DFT) and Vibrational Studies of the Synthesized Heterocyclic Compound 2-6-oxo-2-Thioxotetrahydropyrimidin-41H-Ylidene Hydrazine Carbothioamide, Journal of New Developments in Chemistry, Volume 1, Issue 2, 2017, Pages 100-110, ISSN 2377-2549, https://doi.org/10.14302/issn.2377-2549.jndc-17-1645.
(https://openaccesspub.orgjndc/article/536)
Keywords: Hydrazine; carbothioamide; DFT; FMO’s; NLO; NBO; Thermal parameters