검색결과 : 2건
| No. | Article |
|---|---|
| 1 |
The infrared spectrum of spessartine Mn3Al2Si3O12: An ab initio all electron simulation with five different functionals (LDA, PBE, PBESOL, B3LYP and PBE0) Maschio L, Ferrabone M, Meyer A, Garza J, Dovesi R Chemical Physics Letters, 501(4-6), 612, 2011 |
| 2 |
The First and Second Static Electronic Hyperpolarizabilities of Zigzag Boron Nitride Nanotubes. An ab Initio Approach through the Coupled Perturbed Kohn-Sham Scheme Orlando R, Bast R, Ruud K, Ekstrom U, Ferrabone M, Kirtman B, Dovesi R Journal of Physical Chemistry A, 115(45), 12631, 2011 |