| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('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 |
|
artikel
|
| 2 |
A theoretical study of β-hydroxybutenyl with O2 on the HOC4H6OO· potential energy surface
|
Li, Yi-Wei
|
|
|
140 |
10 |
|
artikel
|
| 3 |
Description of covalent bond in terms of generalized charges. The bond length
|
Dolgonosov, Anatoly M.
|
|
|
140 |
10 |
|
artikel
|
| 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 |
|
artikel
|
| 5 |
Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first-principles study
|
Hmŏk, H’Linh
|
|
|
140 |
10 |
|
artikel
|
| 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 |
|
artikel
|
| 7 |
Kinetic insights into ethynyl radical with isobutane and neopentane
|
Dash, Manas Ranjan
|
|
|
140 |
10 |
|
artikel
|
| 8 |
Magnetic exchange coupling in Cu dimers studied with modern multireference methods and broken-symmetry coupled cluster theory
|
Singh, Gurjot
|
|
|
140 |
10 |
|
artikel
|
| 9 |
Modeling environmental effects in two-photon circular dichroism calculations
|
Prioli, Salvatore
|
|
|
140 |
10 |
|
artikel
|
| 10 |
Preface to the special collection in honor of Fernand Spiegelman
|
Calvo, Florent
|
|
|
140 |
10 |
|
artikel
|
| 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 |
|
artikel
|
| 12 |
Well-normalized charge-transfer models: a more general derivation of the hard/soft-acid/base principle
|
Miranda-Quintana, Ramón Alain
|
|
|
140 |
10 |
|
artikel
|
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