Donald G. Truhlar
University of Minnesota
402 papers found
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State-interaction pair-density functional theory
UploadMC-PDFT can calculate singlet–triplet splittings of organic diradicals
Download from aip.scitation.orgPotential energy surfaces for O + O2 collisions
UploadPotential energy surfaces of quintet and singlet O4
Download from aip.scitation.orgMechanism of electrochemical lithiation of a metal-organic framework without redox-active nodes
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