Work

The Effect of Hartree-Fock Exchange on Scaling Relations and Reaction Energetics for C–H Activation Catalysts

Year: 2021

Type: article

Source: Topics in Catalysis

DOI: 10.1007/s11244-021-01482-5

Authors: Vyshnavi Vennelakanti, Aditya Nandy, Heather J. Kulik

Institution: Massachusetts Institute of Technology

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

SDG: Affordable and clean energy

Open Access status: green

Funders: National Science Foundation, U.S. Department of Energy, Burroughs Wellcome Fund, Alfred P. Sloan Foundation, American Association for the Advancement of Science, Office of Naval Research, Division of Chemical, Bioengineering, Environmental, and Transport Systems, Basic Energy Sciences

Awards: G1996370106, ENERGY FRONTIER RESEARCH CENTER FOR INORGANOMETALLIC CATALYST DESIGN, G2646727112, G2710044317, G3226045097, CAREER: Revealing spin-state-dependent reactivity in open-shell single atom catalysts with systematically-improvable computational tools, Graduate Research Fellowship Program, XSEDE 2.0: Integrating, Enabling and Enhancing National Cyberinfrastructure with Expanding Community Involvement, G4247562519, G4504108201, G4899776937, G5450288871, G6191928423, G6806689448, G6995042427, G7563389667, Enabling high-throughput computational discovery of stable and active single-site oxidation catalysts, G8505604578, G8876996369

OpenAlex ID: W3167135865

FWCI: 1.843

Cites: 131

Cited by: 22

Related to: 10