Show items per page
Elements: 3
Page 1 on 1
 TitleAuthors / EditorsDate
add to browser selection
A density functional especially designed for hydrogen-only systems Chermette, Henry; Razafinjanahary, Holy; Carrion, Lionel 1997
add to browser selection
Comparison of density functionals for energy and structural differences between the high- [5T2g:(t2g)4(eg)2] and low- [1A1g:(t2g)6(eg)0] spin states of iron(II) coordination compounds. II. More functionals and the hexaminoferrous cation, [Fe(NH3)6]2+ Fouqueau, Antony; Casida, Mark E.; Lawson Daku, Latevi Max; Hauser, Andreas; Neese, Frank 2005
add to browser selection
On the electron leak problem in orbital-free embedding calculations Dulak, Marcin; Wesolowski, Tomasz Adam 2006