Anharmonic Densities of States for Vibrationally Excited I-(H2O), (H2O)(2), and I-(H2O)(2)

Ma, XY; Yang, N; Johnson, MA; Hase, WL

Hase, WL (reprint author), Texas Tech Univ, Dept Chem & Biochem, Lubbock, TX 79409 USA.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2018; 14 (8): 3986

Abstract

Monte Carlo sampling calculations were performed to determine the anharmonic sum of states, N-anh( E), for I-(H2O), (H2O)(2), and I-(H2O)(2) versus in......

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