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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Apr-2023	/adducts frq_opt_bc6f5_re_0_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-5469.68173581; Eh
6-Apr-2023	/adducts frq_opt_bi3_mo_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4168.94763715; Eh
6-Apr-2023	/adducts frq_opt_bbr3_mo_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-10998.71079788; Eh
6-Apr-2023	/adducts frq_opt_bbr3_w_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-10997.60983711; Eh
6-Apr-2023	/adducts frq_opt_alcl3_w_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-4872.82077163; Eh
6-Apr-2023	/adducts frq_opt_bh3_mo_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3277.05075357; Eh
6-Apr-2023	/adducts frq_opt_bch3_w_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3393.93869611; Eh
6-Apr-2023	/adducts frq_opt2_bOTf3_mo_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-6160.86455121; Eh
6-Apr-2023	/adducts frq_opt_bf3_mo_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-3575.14083894; Eh
6-Apr-2023	/hia frq_HbOTf3_-1_1	Martins, Frederico	Orca; 5.0.2; RELEASE	Single point Minimum	DFT	def2-TZVP	-2911.17784017; Eh

Results 101-110 of 171 (Search time: 0.001 seconds).