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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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
16-Mar-2026	SP_F3c_M06D4	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1089.90701988529077; Eh
16-Mar-2026	SP_F3c_M06	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1089.90701988529077; Eh
16-Mar-2026	SP_TSF3ciso_B3LYPD3BJ	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1089.83579496590255; Eh
16-Mar-2026	SP_TSF3ciso_M06	García-Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1089.85104454511429; Eh

Results 100251-100260 of 100263 (Search time: 0.058 seconds).