Parametrization of combined quantum mechanical and molecular mechanical methods: bond-tuned link atoms ^†

Xinping Wu, Laura Gagliardi, Donald G Truhlar

Research output: Contribution to journal › Article › peer-review

12 Scopus citations

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Finished
Energy Frontier Research Center For Inorganometallic Catalyst Design (DE-SC0012702)
Gagliardi, L. (PI), Cramer, C. (CoI), Lu, C. C. (CoI), Penn, L. (CoI), Stein, A. (CoI) & Truhlar, D. G. (CoI)
U.S. DEPARTMENT OF ENERGY (USDOE)
8/1/14 → 7/31/18
Project: Research project