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Potential energy surfaces of quintet and singlet O-4

Paukku, Y; Yang, KR; Varga, ZT; Song, GL; Bender, JD; Truhlar, DG

Truhlar, DG (reprint author), Univ Minnesota, Dept Chem, Chem Theory Ctr, 207 Pleasant St SE, Minneapolis, MN 55455 USA.; Truhlar, DG (reprint author), Univ Minnesota, Minnesota Supercomp Inst, Minneapolis, MN 55455 USA.

JOURNAL OF CHEMICAL PHYSICS, 2017; 147 (3):

Abstract

We present global ground-state potential energy surfaces for the quintet and singlet spin states of the O-4 system that are suitable for treating high......

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