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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Apr-2023	/fia frq_Fbph3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-820.12783285; Eh
6-Apr-2023	/fia frq_Fbsh3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-1321.57128236; Eh
6-Apr-2023	/fia frq_Fbbr3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-7848.37069828; Eh
6-Apr-2023	/fia frq_Fbcl3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-1505.86629602; Eh
6-Apr-2023	/fia frq_Fbh3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-126.70088468; Eh
6-Apr-2023	/fia bOTf3	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-2910.37906274; Eh
6-Apr-2023	/fia frq_Fboh3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVP	-352.66031689; Eh
6-Apr-2023	/fia bch33	Martins, Frederico	Orca; 5.0.2; RELEASE	Geometry optimization	DFT	def2-TZVP	-144.64497051; Eh
6-Apr-2023	/transeff frq_opt_F_bOTf3_mo_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-5800.48092601; Eh
6-Apr-2023	/transeff frq_opt_F_bPh3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3620.09724183; Eh

Results 171-180 of 206 (Search time: 0.001 seconds).