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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Research output
- 5 Article
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Importance of Lattice Constants in QM/MM Calculations on Metal-Organic Frameworks
Yang, B., Wu, X. P., Gagliardi, L. & Truhlar, D. G., Jun 10 2021, In: Journal of Physical Chemistry B. 125, 22, p. 5786-5793 8 p.Research output: Contribution to journal › Article › peer-review
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Methane functionalization by an Ir(III) catalyst supported on a metal–organic framework: an alternative explanation of steric confinement effects
Yang, B., Wu, X. P., Gagliardi, L. & Truhlar, D. G., Sep 1 2019, In: Theoretical Chemistry Accounts. 138, 9, 107.Research output: Contribution to journal › Article › peer-review
6 Scopus citations -
The effects of active site and support on hydrogen elimination over transition-metal-functionalized yttria-decorated metal-organic frameworks
Yang, B., Sharkas, K., Gagliardi, L. & Truhlar, D. G., 2019, In: Catalysis Science and Technology. 9, 24, p. 7003-7015 13 p.Research output: Contribution to journal › Article › peer-review
2 Scopus citations -
Computational Design of an Iron Catalyst for Olefin Metathesis
Yang, B. & Truhlar, D. G., Nov 12 2018, In: Organometallics. 37, 21, p. 3917-3927 11 p.Research output: Contribution to journal › Article › peer-review
14 Scopus citations -
Transition states of spin-forbidden reactions
Yang, B., Gagliardi, L. & Truhlar, D. G., 2018, In: Physical Chemistry Chemical Physics. 20, 6, p. 4129-4136 8 p.Research output: Contribution to journal › Article › peer-review
22 Scopus citations