Zhu T - Search Results

1

Zhang C, Welborn M, Zhu T, Yang NJ, Santos MS, Van Voorhis T, Pentelute BL. Zhang C, et al. Among authors: zhu t. Nat Chem. 2016 Feb;8(2):120-8. doi: 10.1038/nchem.2413. Epub 2015 Dec 21. Nat Chem. 2016. PMID: 26791894 Free PMC article.

2

Thermally Activated Delayed Fluorescence Materials Based on Homoconjugation Effect of Donor-Acceptor Triptycenes.

Kawasumi K, Wu T, Zhu T, Chae HS, Van Voorhis T, Baldo MA, Swager TM. Kawasumi K, et al. Among authors: zhu t. J Am Chem Soc. 2015 Sep 23;137(37):11908-11. doi: 10.1021/jacs.5b07932. Epub 2015 Sep 14. J Am Chem Soc. 2015. PMID: 26367852

3

Prediction of Excited-State Energies and Singlet-Triplet Gaps of Charge-Transfer States Using a Restricted Open-Shell Kohn-Sham Approach.

Hait D, Zhu T, McMahon DP, Van Voorhis T. Hait D, et al. Among authors: zhu t. J Chem Theory Comput. 2016 Jul 12;12(7):3353-9. doi: 10.1021/acs.jctc.6b00426. Epub 2016 Jun 20. J Chem Theory Comput. 2016. PMID: 27267803

4

Salt Effect Accelerates Site-Selective Cysteine Bioconjugation.

Dai P, Zhang C, Welborn M, Shepherd JJ, Zhu T, Van Voorhis T, Pentelute BL. Dai P, et al. Among authors: zhu t. ACS Cent Sci. 2016 Sep 28;2(9):637-646. doi: 10.1021/acscentsci.6b00180. Epub 2016 Aug 25. ACS Cent Sci. 2016. PMID: 27725962 Free PMC article.

5

Long-range interactions from the many-pair expansion: A different avenue to dispersion in DFT.

de Silva P, Zhu T, Van Voorhis T. de Silva P, et al. Among authors: zhu t. J Chem Phys. 2017 Jan 14;146(2):024111. doi: 10.1063/1.4973728. J Chem Phys. 2017. PMID: 28088139

One of the several problems that plague majority of density functional theory calculations is their inability to properly account for long-range correlations giving rise to dispersion forces. The recently proposed many-pair expansion (MPE) [T. Zhu et al., Phys. Rev. …

One of the several problems that plague majority of density functional theory calculations is their inability to properly account for long-r …

6

A structural and mechanistic study of π-clamp-mediated cysteine perfluoroarylation.

Dai P, Williams JK, Zhang C, Welborn M, Shepherd JJ, Zhu T, Van Voorhis T, Hong M, Pentelute BL. Dai P, et al. Among authors: zhu t. Sci Rep. 2017 Aug 11;7(1):7954. doi: 10.1038/s41598-017-08402-2. Sci Rep. 2017. PMID: 28801573 Free PMC article.

7

Shorter Exciton Lifetimes via an External Heavy-Atom Effect: Alleviating the Effects of Bimolecular Processes in Organic Light-Emitting Diodes.

Einzinger M, Zhu T, de Silva P, Belger C, Swager TM, Van Voorhis T, Baldo MA. Einzinger M, et al. Among authors: zhu t. Adv Mater. 2017 Oct;29(40). doi: 10.1002/adma.201701987. Epub 2017 Sep 11. Adv Mater. 2017. PMID: 28892200

8

Self-Attractive Hartree Decomposition: Partitioning Electron Density into Smooth Localized Fragments.

Zhu T, de Silva P, Van Voorhis T. Zhu T, et al. J Chem Theory Comput. 2018 Jan 9;14(1):92-103. doi: 10.1021/acs.jctc.7b00931. Epub 2017 Dec 26. J Chem Theory Comput. 2018. PMID: 29227682

9

Implementation of the Many-Pair Expansion for Systematically Improving Density Functional Calculations of Molecules.

Zhu T, de Silva P, Van Voorhis T. Zhu T, et al. J Chem Theory Comput. 2019 Feb 12;15(2):1089-1101. doi: 10.1021/acs.jctc.8b01127. Epub 2019 Feb 1. J Chem Theory Comput. 2019. PMID: 30689383 Free article.

10

Understanding the Dipole Moment of Liquid Water from a Self-Attractive Hartree Decomposition.

Zhu T, Van Voorhis T. Zhu T, et al. J Phys Chem Lett. 2021 Jan 14;12(1):6-12. doi: 10.1021/acs.jpclett.0c03300. Epub 2020 Dec 9. J Phys Chem Lett. 2021. PMID: 33296211

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