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PSGRKCW INSTITUTIONAL REPOSITORY
Browsing by Author Parimala Devi, Duraisamy
Showing results 1 to 6 of 6
Issue Date | Title | Author(s) |
2022-07-09 | A DFT STUDY OF HALOGEN (F−, CL−, AND BR−) ENCAPSULATED GA12X12 (X = N, P, AND AS) NANOCAGES FOR SODIUM-ION BATTERIES | Parimala Devi, Duraisamy; S, Prince Makarios Paul; Praveena, Gopalan; Selvarengan, Paranthaman; Abiram, Angamuthu |
2022-07-09 | A DFT STUDY OF HALOGEN (F−, CL−, AND BR−) ENCAPSULATED GA12X12 (X = N, P, AND AS) NANOCAGES FOR SODIUM-ION BATTERIES | Parimala Devi, Duraisamy; Prince Makarios Paul, S; Praveena, Gopalan; Selvarengan, Paranthaman; Abiram, Angamuthu |
2024-01 | ENHANCED HYDROGEN STORAGE OF ALKALINE EARTH METAL-DECORATED BN (N = 3-14) NANOCLUSTERS: A DFT STUDY | Parimala Devi, Duraisamy; Prince Makarios Paul, S; Praveena, Gopalan; Abiram, Angamuthu |
2020-10-16 | INTERMOLECULAR C-H∙∙∙H-M DIHYDROGEN BONDS IN FIVE-MEMBERED HETEROCYCLIC COMPLEXES: A DFT AND AB-INITIO STUDY | Parimala Devi, Duraisamy; Praveena, Gopalan; Abiram, Angamuthu |
2020-10-16 | INTERMOLECULAR C-H∙∙∙H-M DIHYDROGEN BONDS IN FIVE-MEMBERED HETEROCYCLIC COMPLEXES: A DFT AND AB-INITIO STUDY | Parimala Devi, Duraisamy; Praveena, Gopalan; Abiram, Angamuthu |
2020 | MOLECULAR STRUCTURE, FT-IR AND NMR ANALYSES OF DIHYDROGEN-BONDED B3N3H6•••HM COMPLEXES: A DFT AND MP2 APPROACH | Parimala Devi, Duraisamy; Praveena, Gopalan; Abiram, Angamuthu |