Jie Bao - Publications

Affiliations: 
University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
computational/theoretical

6 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Fernández Galván I, Vacher M, Alavi A, Angeli C, Aquilante F, Autschbach J, Bao JJ, Bokarev SI, Bogdanov NA, Carlson RK, Chibotaru LF, Creutzberg J, Dattani N, Delcey MG, Dong SS, et al. OpenMolcas: From source code to insight. Journal of Chemical Theory and Computation. PMID 31509407 DOI: 10.1021/acs.jctc.9b00532  1
2019 Bao JJ, Truhlar DG. Automatic Active Space Selection for Calculating Electronic Excitation Energies Based on High-Spin Unrestricted Hartree-Fock Orbitals. Journal of Chemical Theory and Computation. PMID 31411880 DOI: 10.1021/acs.jctc.9b00535  1
2019 Bao JJ, Gagliardi L, Truhlar DG. Weak Interactions in Alkaline Earth Metal Dimers by Pair-Density Functional Theory. The Journal of Physical Chemistry Letters. PMID 30715896 DOI: 10.1021/acs.jpclett.8b03846  1
2018 Oakley MS, Bao JJ, Klobukowski M, Truhlar DG, Gagliardi L. Multireference Methods for Calculating the Dissociation Enthalpy of Tetrahedral P to Two P. The Journal of Physical Chemistry. A. PMID 29870248 DOI: 10.1021/acs.jpca.7b12366  1
2018 Bao JJ, Dong SS, Gagliardi L, Truhlar DG. Automatic selection of an active space for calculating electronic excitation spectra by MS-CASPT2 or MC-PDFT. Journal of Chemical Theory and Computation. PMID 29486125 DOI: 10.1021/acs.jctc.8b00032  0.56
2017 Bao JJ, Gagliardi L, Truhlar DG. Multiconfiguration pair-density functional theory for doublet excitation energies and excited state geometries: the excited states of CN. Physical Chemistry Chemical Physics : Pccp. PMID 29098207 DOI: 10.1039/c7cp05156e  0.56
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