Wei Wu

12 papers Journal 12
YearRankTypeTitle / Venue / Authors
2021 J jnl
XEDA, a fast and multipurpose energy decomposition analysis program.
J. Comput. Chem.
Zhen Tang, Yanlin Song, Shu Zhang, Wei Wang, Yuan Xu, Di Wu, Wei Wu, Peifeng Su
2019 J jnl
Attraction between electrophilic caps: A counterintuitive case of noncovalent interactions.
J. Comput. Chem.
Changwei Wang, David Danovich, Sason Shaik, Wei Wu, Yirong Mo
2019 J jnl
Editorial.
J. Comput. Chem.
Yirong Mo, Wei Wu, Zexing Cao
2019 J jnl
Performance of the VBSCF method for pericyclic and π bond shift reactions.
J. Comput. Chem.
Huaiyu Zhang, Chen Zhou, Yirong Mo, Wei Wu
2016 J jnl
The application of cholesky decomposition in valence bond calculation.
J. Comput. Chem.
Xiping Gong, Zhenhua Chen, Wei Wu
2013 J jnl
An efficient algorithm for complete active space valence bond self-consistent field calculation.
J. Comput. Chem.
Jinshuai Song, Zhenhua Chen, Sason Shaik, Wei Wu
2012 J jnl
Reply to comment on the paper "An efficient Algorithm for Energy Gradients and Orbital Optimization in Valence Bond Theory".
J. Comput. Chem.
Wei Wu, Yirong Mo
2009 J jnl
An efficient algorithm for energy gradients and orbital optimization in valence bond theory.
J. Comput. Chem.
Lingchun Song, Jinshuai Song, Yirong Mo, Wei Wu
2009 J jnl
Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase.
J. Comput. Chem.
Xin Zhang, Ruibo Wu, Lingchun Song, Yuchun Lin, Menghai Lin, Zexing Cao, Wei Wu, Yirong Mo
2007 J jnl
A valence bond study of the dioxygen molecule.
J. Comput. Chem.
Peifeng Su, Lingchun Song, Wei Wu, Philippe C. Hiberty, Sason Shaik
2005 J jnl
XMVB: A program for ab initio nonorthogonal valence bond computations.
J. Comput. Chem.
Lingchun Song, Yirong Mo, Qianer Zhang, Wei Wu
2004 J jnl
A practical valence bond method: A configuration interaction method approach with perturbation theoretic facility.
J. Comput. Chem.
Lingchun Song, Wei Wu, Qianer Zhang, Sason Shaik