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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Apr-2023	/fia frq_Fbi3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-1018.60394521; Eh
6-Apr-2023	/adducts frq_optTS_bph3_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3980.48102064; Eh
6-Apr-2023	/fia frq_Fbnc6f53_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4658.02478070; Eh
6-Apr-2023	/fia frq_Fbc2f5_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-1852.04436576; Eh
6-Apr-2023	/fia frq_Fbc6f5_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-2309.34921986; Eh
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_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	/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 121-130 of 130 (Search time: 0.001 seconds).