A practical valence bond method: A configuration interaction method approach with perturbation theoretic facility. - Lingchun Song; Wei Wu 030; Qianer Zhang; Sason Shaik (J. Comput. Chem., 2004)

XMVB: A program for ab initio nonorthogonal valence bond computations. - Lingchun Song; Yirong Mo; Qianer Zhang; Wei Wu 030 (J. Comput. Chem., 2005)

A valence bond study of the dioxygen molecule. - Peifeng Su; Lingchun Song; Wei Wu 030; Philippe C. Hiberty; Sason Shaik (J. Comput. Chem., 2007)

An efficient algorithm for energy gradients and orbital optimization in valence bond theory. - Lingchun Song; Jinshuai Song; Yirong Mo; Wei Wu 030 (J. Comput. Chem., 2009)

Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase. - Xin Zhang 020; Ruibo Wu; Lingchun Song; Yuchun Lin; Menghai Lin; Zexing Cao; Wei Wu 030; Yirong Mo (J. Comput. Chem., 2009)

Reply to comment on the paper "An efficient Algorithm for Energy Gradients and Orbital Optimization in Valence Bond Theory". - Wei Wu 030; Yirong Mo (J. Comput. Chem., 2012)

An efficient algorithm for complete active space valence bond self-consistent field calculation. - Jinshuai Song; Zhenhua Chen; Sason Shaik; Wei Wu 030 (J. Comput. Chem., 2013)

The application of cholesky decomposition in valence bond calculation. - Xiping Gong; Zhenhua Chen; Wei Wu 030 (J. Comput. Chem., 2016)

Editorial. - Yirong Mo; Wei Wu 030; Zexing Cao (J. Comput. Chem., 2019)

Attraction between electrophilic caps: A counterintuitive case of noncovalent interactions. - Changwei Wang 004; David Danovich; Sason Shaik; Wei Wu 030; Yirong Mo (J. Comput. Chem., 2019)

Performance of the VBSCF method for pericyclic and π bond shift reactions. - Huaiyu Zhang; Chen Zhou; Yirong Mo; Wei Wu 030 (J. Comput. Chem., 2019)

XEDA, a fast and multipurpose energy decomposition analysis program. - Zhen Tang; Yanlin Song; Shu Zhang; Wei Wang; Yuan Xu; Di Wu; Wei Wu 030; Peifeng Su (J. Comput. Chem., 2021)