Projects per year
Personal profile
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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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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Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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Multiconfiguration Pair-Density Functional Theory for Spectroscopy and Photochemistry
8/1/21 → 7/31/23
Project: Research project
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Multiconfiguration Pair-Density Functional Theory for Magnetic Systems
9/15/20 → 9/14/24
Project: Research project
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Predictive Hierarchical Modeling of Chemical Separations
Siepmann, I., Cramer, C., Gagliardi, L., Truhlar, D. G. & Tsapatsis, M.
9/1/12 → 6/30/23
Project: Research project
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Multi-configuration pair-density functional theory for c
Gagliardi, L. & Truhlar, D. G.
8/1/18 → 7/31/21
Project: Research project
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Decoherence and Its Role in Electronically Nonadiabatic Dynamics
Shu, Y. & Truhlar, D. G., 2023, (Accepted/In press) In: Journal of Chemical Theory and Computation.Research output: Contribution to journal › Review article › peer-review
Open Access2 Scopus citations -
Electronic Excitation of ortho-Fluorothiophenol
Ning, J. & Truhlar, D. G., Feb 16 2023, In: Journal of Physical Chemistry A. 127, 6, p. 1469-1474 6 p.Research output: Contribution to journal › Article › peer-review
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Elucidating the photodissociation fingerprint and quantifying the determination of organic hydroperoxides in gas-phase autoxidation
Hu, Z., Di, Q., Liu, B., Li, Y., He, Y., Zhu, Q., Xu, Q., Dagaut, P., Hansen, N., Sarathy, S. M., Xing, L., Truhlar, D. G. & Wang, Z., Mar 7 2023, In: Proceedings of the National Academy of Sciences of the United States of America. 120, 10, p. e2220131120 e2220131120.Research output: Contribution to journal › Article › peer-review
Open Access -
Performance of Screened-Exchange Functionals for Band Gaps and Lattice Constants of Crystals
Zhang, C., Verma, P., Wang, J., Liu, Y., He, X., Wang, Y., Truhlar, D. G. & Liu, Z., Jan 10 2023, In: Journal of Chemical Theory and Computation. 19, 1, p. 311-323 13 p.Research output: Contribution to journal › Article › peer-review
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Supervised learning of a chemistry functional with damped dispersion
Liu, Y., Zhang, C., Liu, Z., Truhlar, D. G., Wang, Y. & He, X., Jan 2023, In: Nature Computational Science. 3, 1, p. 48-58 11 p.Research output: Contribution to journal › Article › peer-review
Open Access1 Scopus citations
Datasets
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PIPFit 2022
Yang, K. R., Varga, Z., Parker, K., Shu, Y. & Truhlar, D. G., Data Repository for the University of Minnesota, Feb 14 2022
https://hdl.handle.net/11299/226289
Dataset
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Adiabatic and Diabatic Energy Dataset for the Ground and First Excited Singlet States of CH3NH2
Parker, K. & Truhlar, D. G., Data Repository for the University of Minnesota, 2020
DOI: 10.13020/4f95-ex37, http://hdl.handle.net/11299/213731
Dataset
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Electronic structure data for ³A' and A" N₂O
Truhlar, D. G., Lin, W., Varga, Z., Song, G. & Paukku, Y., Data Repository for the University of Minnesota, 2020
DOI: 10.13020/c66z-2z26, http://hdl.handle.net/11299/216938
Dataset
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Minnesota Solvation Database (MNSOL) version 2012
Venkatesan, G. A., Marenich, A. V., Kelly, C. P., Thompson, J. D., Hawkins, G. D., Chambers, C. C., Giesen, D. J., Winget, P., Cramer, C. & Truhlar, D. G., Data Repository for the University of Minnesota, 2020
DOI: 10.13020/3eks-j059, http://hdl.handle.net/11299/213300
Dataset
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Geometries for Minnesota Database 2019
Verma, P. & Truhlar, D. G., Data Repository for the University of Minnesota, 2019
DOI: 10.13020/217y-8g32, http://hdl.handle.net/11299/208752
Dataset