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PSGRKCW INSTITUTIONAL REPOSITORY
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Browsing by Author Prince Makarios Paul, S
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Showing results 6 to 10 of 10
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Issue Date
Title
Author(s)
2022-08-15
FEASIBILITY OF HALIDE (F−, CL− AND BR−) ENCAPSULATED BE12O12 NANOCAGES AS POTENTIAL ANODE FOR METAL-ION BATTERIES – A DFT-D3 APPROACH
Parimala devi, Duraisamy
;
Prince Makarios Paul, S
;
Praveena, Gopalan
;
Abiram, Angamuthu
2024-02-26
IMPACT OF VENOMOUS AGENT X (VX) ADSORPTION ON THE STRUCTURAL AND ELECTRONIC PROPERTIES OF BN NANOSHEET, NANOTUBE AND NANOCAGE-A DFT-D3 STUDY
Prince Makarios Paul, S
;
Parimala devi, D
;
Praveena, G
;
Selvarengan, P
;
Jeba Beula, R
;
Abiram, A
2023
INVESTIGATION OF DIHYDROGEN BONDED INTERACTION IN X3CH⋅⋅⋅HNA, X2CH2⋅⋅⋅HNA (X = F, CL, AND BR) BINARY AND TERNARY COMPLEXES: A DFT AND DFT-D3 APPROACH
Parimala devi, Duraisamy
;
Prince Makarios Paul, S
;
Praveena, Gopalan
;
Jeba Beula, R
;
Abiram, Angamuthu
2024-03
THEORETICAL INSIGHTS ON THE INTERACTION BETWEEN P-SYNEPHRINE AND METFORMIN: A DFT, QTAIM AND DRUG-LIKENESS INVESTIGATION
Prince Makarios Paul, S
;
Parimala Devi, D
;
Abisha Nancy, Sukumar
;
Praveena, G
;
Jeba Beula, R
;
Abiram, A
2022-03-03
THEORETICAL INVESTIGATION ON THE INTERACTION BETWEEN METFORMIN AND FERULIC ACID - A DFT APPROACH
Prince Makarios Paul, S
;
Parimala Devi, D
;
Praveena, G
;
Jeba Beula, R
;
Haris, M
;
Abiram, A