Peng Bao
Affiliations: | Institute of Chemistry,Chinese Academy of Sciences |
Area:
Theoretical and computational chemistryGoogle:
"Peng Bao"Mean distance: (not calculated yet)
Parents
Sign in to add mentorZhongheng Yu | grad student | 2004-2007 | Institute of Chemistry,Chinese Academy of Sciences |
Jiali Gao | post-doc | 2010-2012 | UMN |
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Publications
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Zhao R, Grofe A, Wang Z, et al. (2021) Dynamic-then-Static Approach for Core Excitations of Open-Shell Molecules. The Journal of Physical Chemistry Letters. 7409-7417 |
Bao P, Hettich CP, Shi Q, et al. (2020) Block-Localized Excitation for Excimer Complex and Diabatic Coupling. Journal of Chemical Theory and Computation |
Grofe A, Zhao R, Wildman A, et al. (2020) Generalization of Block-Localized Wave Function for Constrained Optimization of Excited Determinants. Journal of Chemical Theory and Computation |
Gao J, Grofe A, Ren H, et al. (2016) Beyond Kohn-Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory. The Journal of Physical Chemistry Letters. 7: 5143-5149 |
Ren H, Provorse MR, Bao P, et al. (2016) Multistate Density Functional Theory for Effective Diabatic Electronic Coupling. The Journal of Physical Chemistry Letters |
Zhang P, Bao P, Gao J. (2011) Dipole preserving and polarization consistent charges. Journal of Computational Chemistry. 32: 2127-39 |
Mo Y, Bao P, Gao J. (2011) Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theory. Physical Chemistry Chemical Physics : Pccp. 13: 6760-75 |
Bao P, Yu ZH. (2011) New procedure to evaluate aromaticity at the density functional theory, Hartree-Fock, and post-self-consistent field levels. Journal of Computational Chemistry. 32: 248-59 |
Cembran A, Bao P, Wang Y, et al. (2010) On the Interfragment Exchange in the X-Pol Method. Journal of Chemical Theory and Computation. 6: 2469-2476 |
Bao P, Yu ZH. (2007) Restricted geometry optimization: a different way to estimate stabilization energies for aromatic molecules of various types. The Journal of Physical Chemistry. A. 111: 5304-13 |