Compressed intramolecular dispersion interactions

Mackie, CJ; Gonthier, JF; Head-Gordon, M

Mackie, CJ (corresponding author), Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA.

JOURNAL OF CHEMICAL PHYSICS, 2020; 152 (2):

Abstract

The feasibility of the compression of localized virtual orbitals is explored in the context of intramolecular long-range dispersion interactions. Sing......

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