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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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_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_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVDZ GEN	-5922.65191643; Eh
	17-Oct-2023	int_4_path_b_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVDZ GEN	-5922.61504635; Eh
	17-Oct-2023	ts_5_path_b_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB3LYP	CC-PVDZ GEN	-5922.64540974; Eh
	17-Oct-2023	ts_3_path_b_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB3LYP	CC-PVDZ GEN	-5922.58798255; Eh
	17-Oct-2023	ts_2_path_b_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB3LYP	CC-PVDZ GEN	-5922.60245068; Eh
	17-Oct-2023	int_1_c60_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVDZ GEN	-5922.61127302; Eh
	17-Oct-2023	int_1_common_up_spe_bis	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	CC-PVTZ GEN	-3637.0387463; 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

Results 21-30 of 42 (Search time: 0.001 seconds).