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Valence Bond Account of Triangular Polyaromatic Hydrocarbons with Spin: Combining Ab Initio and Phenomenological Approaches
by
Toader, Ana M
,
Buta, Cristina M
,
Frecus, Bogdan
,
Mischie, Alice
,
Cimpoesu, Fanica
Published in
Journal of physical chemistry. C
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Noble gas endohedral fullerenes, Ng@C60 (Ng=Ar, Kr): a particular benchmark for assessing the account of non-covalent interactions by density functional theory calculations
by
Frecus, Bogdan
,
Buta, Cristina M.
,
Oprea, Corneliu I.
,
Stroppa, Alessandro
,
Putz, Mihai V.
,
Cimpoesu, Fanica
Published in
Theoretical chemistry accounts
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American Chemical Society:jisc Collections:american Chemical Society Read & Publish Agreement 2022-2024 (Reading List)
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