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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2023	ts_2_path_a_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	CC-PVDZ GEN	-3636.11718944; Eh
	17-Oct-2023	product_da_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVDZ	-3433.56786937; Eh
	17-Oct-2023	int_i_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVDZ	-1147.08687822; Eh
	17-Oct-2023	ts_3_path_a_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	CC-PVDZ GEN	-3636.14370614; Eh
	17-Oct-2023	int_1_common_opt_bis	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVDZ GEN	-3636.15647363; Eh
	17-Oct-2023	int_2_common_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVDZ GEN	-3636.15545520; Eh
	17-Oct-2023	int_3_path_b_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVDZ GEN	-5922.61985892; Eh
	17-Oct-2023	int_7_path_b_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVDZ GEN	-5922.65191643; Eh
	17-Oct-2023	int_6_path_b_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVDZ GEN	-5922.66740412; Eh
	17-Oct-2023	int_7_path_b_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	CC-PVTZ GEN	-5924.0680911; Eh

Results 1-10 of 42 (Search time: 0.001 seconds).