Ab Initio direct classical trajectory investigation on the SN2 reaction of F- with NH2F: Nonstatistical central barrier recrossing dynamics. - Feng Yu 015 (J. Comput. Chem., 2012)

Assessment of ab initio MP2 and density functionals for characterizing the potential energy profiles of the SN2 reactions at N center. - Feng Yu 015 (J. Comput. Chem., 2012)

Dual-hybrid direct random phase approximation and second-order screened exchange with nonlocal van der Waals correlations for noncovalent interactions. - Feng Yu 015; Yaoting Wang (J. Comput. Chem., 2020)