XMVB 2.0: A new version of Xiamen valence bond program
Chen, Zhenhua, Ying, Fuming, Chen, Xun, Song, Jinshuai, Su, Peifeng, Song, Lingchun, Mo, Yirong, Zhang, Qianer, Wu, Wei
Published in International journal of quantum chemistry (05.06.2015)
Published in International journal of quantum chemistry (05.06.2015)
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Journal Article
XMVB: A program for ab initio nonorthogonal valence bond computations
Song, Lingchun, Mo, Yirong, Zhang, Qianer, Wu, Wei
Published in Journal of computational chemistry (15.04.2005)
Published in Journal of computational chemistry (15.04.2005)
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Journal Article
Explicit Polarization (X-Pol) Potential Using ab Initio Molecular Orbital Theory and Density Functional Theory
Song, Lingchun, Han, Jaebeom, Lin, Yen-lin, Xie, Wangshen, Gao, Jiali
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.10.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.10.2009)
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Journal Article
Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase
Zhang, Xin, Wu, Ruibo, Song, Lingchun, Lin, Yuchun, Lin, Menghai, Cao, Zexing, Wu, Wei, Mo, Yirong
Published in Journal of computational chemistry (30.11.2009)
Published in Journal of computational chemistry (30.11.2009)
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Journal Article
The Magnitude of Hyperconjugation in Ethane: A Perspective from Ab Initio Valence Bond Theory
Mo, Yirong, Wu, Wei, Song, Lingchun, Lin, Menghai, Zhang, Qianer, Gao, Jiali
Published in Angewandte Chemie (International ed.) (02.04.2004)
Published in Angewandte Chemie (International ed.) (02.04.2004)
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Journal Article
On the Interfragment Exchange in the X-Pol Method
Cembran, Alessandro, Bao, Peng, Wang, Yingjie, Song, Lingchun, Truhlar, Donald G, Gao, Jiali
Published in Journal of chemical theory and computation (10.08.2010)
Published in Journal of chemical theory and computation (10.08.2010)
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Journal Article
Charge Transfer in the Electron Donor−Acceptor Complex BH3NH3
Mo, Yirong, Song, Lingchun, Wu, Wei, Zhang, Qianer
Published in Journal of the American Chemical Society (31.03.2004)
Published in Journal of the American Chemical Society (31.03.2004)
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Journal Article
Origins of Rotational Barriers in Hydrogen Peroxide and Hydrazine
Song, Lingchun, Liu, Minghong, Wu, Wei, Zhang, Qianer, Mo, Yirong
Published in Journal of chemical theory and computation (01.05.2005)
Published in Journal of chemical theory and computation (01.05.2005)
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Journal Article
Block-Localized Density Functional Theory (BLDFT), Diabatic Coupling, and Their Use in Valence Bond Theory for Representing Reactive Potential Energy Surfaces
Cembran, Alessandro, Song, Lingchun, Mo, Yirong, Gao, Jiali
Published in Journal of chemical theory and computation (13.10.2009)
Published in Journal of chemical theory and computation (13.10.2009)
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Journal Article
The Ground and Excited States of Polyenyl Radicals C2n−1H2n+1 (n=2-13): A Valence Bond Study
Luo, Yan, Song, Lingchun, Wu, Wei, Danovich, David, Shaik, Sason
Published in Chemphyschem (19.04.2004)
Published in Chemphyschem (19.04.2004)
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Journal Article
efficient algorithm for energy gradients and orbital optimization in valence bond theory
Song, Lingchun, Song, Jinshuai, Mo, Yirong, Wu, Wei
Published in Journal of computational chemistry (01.02.2009)
Published in Journal of computational chemistry (01.02.2009)
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Journal Article
Perspective on Diabatic Models of Chemical Reactivity as Illustrated by the Gas-Phase SN2 Reaction of Acetate Ion with 1,2-Dichloroethane
Valero, Rosendo, Song, Lingchun, Gao, Jiali, Truhlar, Donald G.
Published in Journal of chemical theory and computation (01.01.2009)
Published in Journal of chemical theory and computation (01.01.2009)
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Journal Article