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Showing results 1 to 6 of 6

Issue Date	Title	Author(s)
2024-08	ADSORPTION BEHAVIOR OF VX NERVE AGENT ON X12Y12 NANOCAGES: A DENSITY FUNCTIONAL THEORY STUDY	Prince Makarios Paul, S; Parimala devi, D; Praveena, G; Jeba Beula, R
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
2022-06-16	INVESTIGATION OF DIHYDROGEN BOND INTERACTION BETWEEN CYCLOALKENES AND ALKALI METAL HYDRIDES: A DFT APPROACH	Parimala devi, D; Praveena, G; 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

Showing results 1 to 6 of 6