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Issue Date
Title
Author(s)
2019-12-05
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
2018-07-21
QUANTUM CHEMICAL STUDY ON THE XH…HM (X=-C2 H, -C2 H3 AND M= LI, NA, K, FE, ZN) DIHYDROGEN BOND SYSTEMS
J, Pavithra
;
G, Praveena
2022-01-20
IMPACT OF ELECTRONEGATIVITY ON THE DIHYDROGEN BOND FORMATION IN MH… NH COMPLEXES
Saravanapriya A
;
Praveena G
2021-07-26
THEORETICAL INVESTIGATION OF INTERMOLECULAR DIHYDROGEN BONDS IN C2H2•••HM AND C2H4•••HM (M = LI, NA AND K) COMPLEXES: A DFT AND AB INITIO STUDY
Parimala devi, D
;
Tom, Giju
;
Praveena, G
;
Abiram, A
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Author
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Abiram Angamuthu
1
Abiram, A
1
G, Praveena
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J, Pavithra
1
Parimala Devi Duraisamy
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Parimala devi, D
1
Praveena G
1
Praveena Gopalan
1
Praveena, G
1
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Metal hydrides
1
Alkali hydrides
1
Bader charge
1
Borazine
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Density functional theory
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density functional theory
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DFT
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Hybrid functionals
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hydrogen storage
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