Detalhe da pesquisa
1.
QuTree: A tree tensor network package.
J Chem Phys
; 160(11)2024 Mar 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38497471
2.
Vibronically and spin-orbit coupled diabatic potentials for X(P) + CH4 â HX + CH3 reactions: General theory and application for X(P) = F(2P).
J Chem Phys
; 150(6): 064102, 2019 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-30769979
3.
Vibronically and spin-orbit coupled diabatic potentials for X(2P) + CH4 â HX + CH3 reactions: Neural network potentials for X = Cl.
J Chem Phys
; 150(24): 244115, 2019 Jun 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-31255085
4.
Neural network based coupled diabatic potential energy surfaces for reactive scattering.
J Chem Phys
; 147(8): 084105, 2017 Aug 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-28863526