Research output per year
Research output per year
Fingerprint
The Fingerprint is created by mining the titles and abstracts of the person's research outputs and projects/funding awards to create an index of weighted terms from discipline-specific thesauri.
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Network
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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Analytic gradients for compressed multistate pair-density functional theory
Bao, J. J., Hermes, M. R., Scott, T. R., Sand, A. M., Lindh, R., Gagliardi, L. & Truhlar, D. G., 2022, In: Molecular Physics. 120, 19-20, e2110534.Research output: Contribution to journal › Article › peer-review
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Application of Multiconfiguration Pair-Density Functional Theory to the Diels-Alder Reaction
Mitchell, E. C., Scott, T., Bao, J. & Truhlar, D. G., Dec 1 2022, In: Journal of Physical Chemistry A. 126, 47, p. 8834-8843 10 p.Research output: Contribution to journal › Article › peer-review
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Electronic structure of strongly correlated systems: recent developments in multiconfiguration pair-density functional theory and multiconfiguration nonclassical-energy functional theory
Zhou, C., Hermes, M. R., Wu, D., Bao, J. J., Pandharkar, R., King, D. S., Zhang, D., Scott, T. R., Lykhin, A. O., Gagliardi, L. & Truhlar, D. G., Jun 7 2022, In: Chemical Science. 13, 26, p. 7685-7706 22 p.Research output: Contribution to journal › Review article › peer-review
Open Access3 Scopus citations -
Zero-Field Splitting Calculations by Multiconfiguration Pair-Density Functional Theory
Wu, D., Zhou, C., Bao, J., Gagliardi, L. & Truhlar, D. G., Apr 12 2022, In: Journal of Chemical Theory and Computation. 18, 4, p. 2199-2207 9 p.Research output: Contribution to journal › Article › peer-review
2 Scopus citations -
Compressed-State Multistate Pair-Density Functional Theory
Bao, J. J., Zhou, C. & Truhlar, D. G., Dec 8 2020, In: Journal of Chemical Theory and Computation. 16, 12, p. 7444-7452 9 p.Research output: Contribution to journal › Article › peer-review
12 Scopus citations
Datasets
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geometries and output files for CMS-PDFT gradient paper
Bao, J., Hermes, M. R., Scott, T. R., Sand, A. M., Lindh, R., Gagliardi, L. & Truhlar, D. G., ZENODO, 2022
DOI: 10.5281/zenodo.7020288, https://zenodo.org/record/7020288
Dataset
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geometries and output files for CMS-PDFT gradient paper
Bao, J., Hermes, M. R., Scott, T. R., Sand, A. M., Lindh, R., Gagliardi, L. & Truhlar, D. G., ZENODO, 2022
DOI: 10.5281/zenodo.6596227, https://zenodo.org/record/6596227
Dataset