검색결과 : 3건
| No. | Article |
|---|---|
| 1 |
A comparative study of the structures and electronic properties of graphene fragments: A DFT and MP2 survey de Carvalho EFV, Lopez-Castillo A, Roberto-Neto O Chemical Physics Letters, 691, 291, 2018 |
| 2 |
DFT and CCSD(T) electronic properties and structures of aluminum clusters: Al-n(x) (n=1-9, x=0, +/- 1) Kiohara VO, Carvalho EFV, Paschoal CWA, Machado FBC, Roberto-Neto O Chemical Physics Letters, 568, 42, 2013 |
| 3 |
Theoretical calculations of energetics, structures, and rate constants for the H+CH(3)OHhydrogen abstraction reactions Carvalho EFV, Barauna AN, Machado FBC, Roberto O Chemical Physics Letters, 463(1-3), 33, 2008 |