검색결과 : 2건
| No. | Article |
|---|---|
| 1 |
Basis Set Convergence of Indirect Spin-Spin Coupling Constants in the Kohn-Sham Limit for Several Small Molecules Kupka T, Nieradka M, Stachow M, Pluta T, Nowak P, Kjaer H, Kongsted J, Kaminsky J Journal of Physical Chemistry A, 116(14), 3728, 2012 |
| 2 |
Solvent effects on NMR isotropic shielding constants. A comparison between explicit polarizable discrete and continuum approaches Aidas K, Mogelhoj A, Kjaer H, Nielsen CB, Mikkelsen KV, Ruud K, Christiansen O, Kongsted J Journal of Physical Chemistry A, 111(20), 4199, 2007 |