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Browsing by Author Praveena, Gopalan
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Showing results 8 to 27 of 28
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Issue Date
Title
Author(s)
2023-02-04
ELECTROCHEMICAL PERFORMANCE OF SODIATED 1,4-BENZOQUINONE CONFORMERS
Pavithra, Jayachandran
;
Abiram, Angamuthu
;
Praveena, Gopalan
2023-11
ELECTROCHEMICAL PROPERTIES OF ENDOHEDRAL HALIDE (F−, CL− AND BR−) ENCAPSULATED MG12O12 NANOCAGE FOR METAL-ION BATTERIES
Parimala devi, Duraisamy
;
S, Prince Makarios Paul
;
Praveena, Gopalan
;
Abiram, Angamuthu
2023-11
ELECTROCHEMICAL PROPERTIES OF ENDOHEDRAL HALIDE (F−, CL− AND BR−) ENCAPSULATED MG12O12 NANOCAGE FOR METAL-ION BATTERIES
Parimala devi, Duraisamy
;
Prince Makarios Paul, S
;
Praveena, Gopalan
;
Abiram, Angamuthu
2024-01-31
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
2022-08
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
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
2019
IMPACT OF N-(2-AMINOETHYL) GLYCINE UNIT ON WATSON-CRICK BASE PAIRS
Indumathi, Karunakaran
;
Abiram, Angamuthu
;
Praveena, Gopalan
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
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
2022-06-15
INVESTIGATION OF N–H⋅⋅⋅H–M DIHYDROGEN BONDED INTERACTIONS IN ADENINE, CYTOSINE, GUANINE, AND THYMINE WITH H–M (M = LI AND NA) COMPLEXES: A DFT STUDY
Parimala devi, Duraisamy
;
Praveena, Gopalan
;
Abiram, Angamuthu
2022-06-15
INVESTIGATION OF N–H⋅⋅⋅H–M DIHYDROGEN BONDED INTERACTIONS IN ADENINE, CYTOSINE, GUANINE, AND THYMINE WITH H–M (M = LI AND NA) COMPLEXES: A DFT STUDY
Parimala devi, Duraisamy
;
Praveena, Gopalan
;
Abiram, Angamuthu
2021
MOLECULAR INSIGHTS ON THE DIHYDROGEN BOND PROPERTIES OF METAL BOROHYDRIDE COMPLEXES UPON AMMONIATION
Saravanapriya, Arumugam
;
Abiram, Angamuthu
;
Praveena, Gopalan
2021-09-14
MOLECULAR INSIGHTS ON THE DIHYDROGEN BOND PROPERTIES OF METAL BOROHYDRIDE COMPLEXES UPON AMMONIATION
Saravanapriya, Arumugam
;
Abiram, Angamuthu
;
Praveena, Gopalan
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
2018-02-02
QUANTUM CHEMICAL STUDY ON THE STRUCTURE AND ENERGETICS OF BINARY IONIC PORPHYRIN COMPLEXES
Pavithra, Jayachandran
;
Abiram, Angamuthu
;
Praveena, Gopalan
2022-02-10
REDOX POTENTIALS OF PUCKERED 1,4-BENZOQUINONE
Pavithra, Jayachandran
;
Abiram, Angamuthu
;
Praveena, Gopalan
2022-02-10
REDOX POTENTIALS OF PUCKERED 1,4-BENZOQUINONE
Pavithra, Jayachandran
;
Abiram, Angamuthu
;
Praveena, Gopalan
2023-03
SUBSTITUTIONAL EFFECTS ON THE NA-INVOLVED ELECTROCHEMICAL PROPERTIES OF ISOMERIC BENZOQUINONES
Pavithra, Jayachandran
;
Abiram, Angamuthu
;
Praveena, Gopalan
2023-03
SUBSTITUTIONAL EFFECTS ON THE NA-INVOLVED ELECTROCHEMICAL PROPERTIES OF ISOMERIC BENZOQUINONES
Pavithra, Jayachandran
;
Abiram, Angamuthu
;
Praveena, Gopalan