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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
12-Mar-2026	Anthracene2	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-539.3005036; Eh
12-Mar-2026	ZnCl2b	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-2699.8701124; Eh
12-Mar-2026	TS1b	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1227.8135634; Eh
16-Mar-2026	SP_F2biso_b_TPSShD3BJ	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1090.31023790248105; Eh
16-Mar-2026	SP_F2biso_b_B3LYPD3BJ	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1089.86872792208692; Eh
16-Mar-2026	SP_E3-flat_TPSShD3BJ	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1074.33590087347579; Eh
16-Mar-2026	SP_F2biso_b_PBE0D4	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1089.45361513598550; Eh
16-Mar-2026	SP_F2biso_b_M06D4	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1089.88229841972316; Eh
16-Mar-2026	SP_F3c_B3LYPD3BJ	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1089.88727166692343; Eh
16-Mar-2026	SP_F2biso_b_M06	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1089.88229841972316; Eh

Results 101641-101650 of 101944 (Search time: 0.06 seconds).