Theoretical descriptions of novel triplet germylenes M-1-Ge-M-2-M-3 (M-1 = H, Li, Na, K; M-2 = Be, Mg, Ca; M-3 = H, F, Cl, Br)-MedSci.cn

Theoretical descriptions of novel triplet germylenes M-1-Ge-M-2-M-3 (M-1 = H, Li, Na, K; M-2 = Be, Mg, Ca; M-3 = H, F, Cl, Br)

Kassaee, MZ; Ashenagar, S

Kassaee, MZ (reprint author), Tarbiat Modares Univ, Dept Chem, POB 14115-175, Tehran, Iran.; Kassaee, MZ (reprint author), Vanderbilt Univ, Chem & Biomol Engn, Nashville, TN 37211 USA.

JOURNAL OF MOLECULAR MODELING, 2018; 24 (2):

Abstract

In a quest to identify new ground-state triplet germylenes, the stabilities (singlet-triplet energy differences, Delta ES-T) of 96 singlet (s) and tri......

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