화학공학소재연구정보센터
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No. Article
1 Refining to near spectroscopic accuracy the double many-body expansion potential energy surface for ground-state NH2
Rodrigues SPJ, Fontes ACG, Li YQ, Varandas AJC
Chemical Physics Letters, 516(1-3), 17, 2011
2 Recalibrated double many-body expansion potential energy surface and dynamics calculations for HN2
Caridade PJSB, Poveda LA, Rodrigues SPJ, Varandas AJC
Journal of Physical Chemistry A, 111(7), 1172, 2007
3 New double many-body expansion potential energy surface for GroundState HCN from a multiproperty fit to accurate ab initio energies and rovibrational calculations (vol 110A, pg 485, 2006)
Varandas AJC, Rodrigues SPJ
Journal of Physical Chemistry A, 111(22), 4869, 2007
4 Direct fit of extended Hartree-Fock approximate correlation energy model to spectroscopic data
Varandas AJC, Rodrigues SPJ, Batista VMO
Chemical Physics Letters, 424(4-6), 425, 2006
5 New double many-body expansion potential energy surface for ground-state HCN from a multiproperty fit to accurate ab initio energies and rovibrational calculations
Varandas AJC, Rodrigues SPJ
Journal of Physical Chemistry A, 110(2), 485, 2006
6 Unimolecular and bimolecular calculations for HN2
Caridade PJSB, Rodrigues SPJ, Sousa F, Varandas AJC
Journal of Physical Chemistry A, 109(10), 2356, 2005
7 Dynamics study of the reaction S+O-2 -> SO+O and its reverse on a single-valued double many-body expansion potential energy surface for ground-state SO2
Rodrigues SPJ, Varandas AJC
Journal of Physical Chemistry A, 107(28), 5369, 2003
8 Single-valued double many-body expansion potential energy surface of ground-state SO2
Rodrigues SPJ, Sabin JA, Varandas AJC
Journal of Physical Chemistry A, 106(3), 556, 2002
9 On the rate constant for the association reaction H+CN+Ar -> HCN+Ar
Rodrigues SPJ, Varandas AJC
Journal of Physical Chemistry A, 103(32), 6366, 1999
10 Dynamics study of the reaction Ar+HCN -> Ar+H+CN
Rodrigues SPJ, Varandas AJC
Journal of Physical Chemistry A, 102(31), 6266, 1998