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                             12 results found
no title author magazine year volume issue page(s) type
1 Abinitio study of the structural and electronic properties of Al/Mg-doped NaMO2 (M = V, Cr and Ni) for sodium-ion batteries application Li, Guobao

140 10 article
2 A theoretical study of β-hydroxybutenyl with O2 on the HOC4H6OO· potential energy surface Li, Yi-Wei

140 10 article
3 Description of covalent bond in terms of generalized charges. The bond length Dolgonosov, Anatoly M.

140 10 article
4 Dramatic relativistic and magnetic Breit effects for the superheavy reaction Og + 3Ts2 → OgTs6: prediction of atomization energy and the existence of the superheavy octahedral oganesson hexatennesside OgTs6 Malli, Gulzari L.

140 10 article
5 Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first-principles study Hmŏk, H’Linh

140 10 article
6 Electronic transport behavior of 2-amino-4,5-bis(2,5-dimethylthiophen-3-yl)furan-3-carbonitrile (a diarylethene) as optical molecular switch: a first-principles approach Farbodnia, Nasrin

140 10 article
7 Kinetic insights into ethynyl radical with isobutane and neopentane Dash, Manas Ranjan

140 10 article
8 Magnetic exchange coupling in Cu dimers studied with modern multireference methods and broken-symmetry coupled cluster theory Singh, Gurjot

140 10 article
9 Modeling environmental effects in two-photon circular dichroism calculations Prioli, Salvatore

140 10 article
10 Preface to the special collection in honor of Fernand Spiegelman Calvo, Florent

140 10 article
11 QM and QM/MM study on inhibition mechanism of polyphenolic compounds as non-classical inhibitors of α-human carbonic anhydrase (II) Ghiasi, Mina

140 10 article
12 Well-normalized charge-transfer models: a more general derivation of the hard/soft-acid/base principle Miranda-Quintana, Ramón Alain

140 10 article
                             12 results found
 
 Koninklijke Bibliotheek - National Library of the Netherlands