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Results 21-30 of 30 (Search time: 0.001 seconds).
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Issue Date
Title
Author(s)
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
2022-02-10
REDOX POTENTIALS OF PUCKERED 1,4-BENZOQUINONE
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
;
Prince Makarios Paul, S
;
Praveena, Gopalan
;
Abiram, Angamuthu
2023-02-04
ELECTROCHEMICAL PERFORMANCE OF SODIATED 1,4-BENZOQUINONE CONFORMERS
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
2023-09-11
COMPUTATIONAL STUDY ON ALKALI AND ALKALINE EARTH METAL DECORATED B20 CLUSTER FOR HYDROGEN STORAGE APPLICATION
Parimala devi, Duraisamy
;
Prince Makarios Paul, S
;
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
2024
COMPUTATIONAL STUDY ON ALKALI AND ALKALINE EARTH METAL DECORATED B20 CLUSTER FOR HYDROGEN STORAGE APPLICATION
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
2024-06
EFFECT OF BORON HALOGENATION ON DIHYDROGEN BONDS: A QUANTUM MECHANICAL APPROACH
Saravanapriya, Arumugam
;
Abiram, Angamuthu
;
Gopalan, Praveena
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Author
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Praveena, Gopalan
11
Parimala devi, Duraisamy
10
Pavithra, Jayachandran
7
Prince Makarios Paul, S
5
Parimala Devi, Duraisamy
3
Saravanapriya, Arumugam
2
S, Prince Makarios Paul
2
Selvarengan, Paranthaman
1
Gopalan, Praveena
1
Indumathi, Karunakaran
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conformations
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DFT
1
HOMO-LUMO
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hydrogen bond
1
LUMO
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peptide nucleic acid (PNA)
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puckering
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redox potentials
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Watson-Crick base pairs
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