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Issue DateTitleAuthor(s)
2022-08FEASIBILITY OF HALIDE (F−, CL− AND BR−) ENCAPSULATED BE12O12 NANOCAGES AS POTENTIAL ANODE FOR METAL-ION BATTERIES – A DFT-D3 APPROACHParimala devi, Duraisamy; Prince, Makarios Paul S; Praveena, Gopalan; Abiram, Angamuthu
2022-02-10REDOX POTENTIALS OF PUCKERED 1,4-BENZOQUINONEPavithra, Jayachandran; Abiram, Angamuthu; Praveena, Gopalan
2022-07-09A DFT STUDY OF HALOGEN (F−, CL−, AND BR−) ENCAPSULATED GA12X12 (X = N, P, AND AS) NANOCAGES FOR SODIUM-ION BATTERIESParimala Devi, Duraisamy; S, Prince Makarios Paul; Praveena, Gopalan; Selvarengan, Paranthaman; Abiram, Angamuthu
2022-06-15INVESTIGATION OF N–H⋅⋅⋅H–M DIHYDROGEN BONDED INTERACTIONS IN ADENINE, CYTOSINE, GUANINE, AND THYMINE WITH H–M (M = LI AND NA) COMPLEXES: A DFT STUDYParimala devi, Duraisamy; Praveena, Gopalan; Abiram, Angamuthu
2022-07-09A DFT STUDY OF HALOGEN (F−, CL−, AND BR−) ENCAPSULATED GA12X12 (X = N, P, AND AS) NANOCAGES FOR SODIUM-ION BATTERIESParimala Devi, Duraisamy; Prince Makarios Paul, S; Praveena, Gopalan; Selvarengan, Paranthaman; Abiram, Angamuthu
2022-08-15FEASIBILITY OF HALIDE (F−, CL− AND BR−) ENCAPSULATED BE12O12 NANOCAGES AS POTENTIAL ANODE FOR METAL-ION BATTERIES – A DFT-D3 APPROACHParimala devi, Duraisamy; Prince Makarios Paul, S; Praveena, Gopalan; Abiram, Angamuthu
2022-06-15INVESTIGATION OF N–H⋅⋅⋅H–M DIHYDROGEN BONDED INTERACTIONS IN ADENINE, CYTOSINE, GUANINE, AND THYMINE WITH H–M (M = LI AND NA) COMPLEXES: A DFT STUDYParimala devi, Duraisamy; Praveena, Gopalan; Abiram, Angamuthu
2022-02-10REDOX POTENTIALS OF PUCKERED 1,4-BENZOQUINONEPavithra, Jayachandran; Abiram, Angamuthu; Praveena, Gopalan

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