검색결과 : 3건
| No. | Article |
|---|---|
| 1 |
Role of Augmented Basis Sets and Quest for ab Initio Performance/Cost Alternative to Kohn-Sham Density Functional Theory Gonzalez MM, Xavier FGD, Li J, Montero-Cabrera LA, de la Vega JMG, Varandas AJC Journal of Physical Chemistry A, 124(1), 126, 2020 |
| 2 |
Global Potential Energy Surface for HO2+ Using the CHIPR Method Gonzalez MM, Varandas AJC, Xavier FGD Journal of Physical Chemistry A, 123(8), 1613, 2019 |
| 3 |
Accurate ab initio potential for HO2+: CBS extrapolated energies and direct-fit diatomic curves Xavier FGD, Martinez-Gonzalez M, Varandas AJC Chemical Physics Letters, 691, 421, 2018 |