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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	ts_3_path_b_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	CC-PVTZ GEN	-5923.9990133; Eh
	17-Oct-2023	int_5_path_b_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	CC-PVTZ GEN	-5924.0753997; Eh
	17-Oct-2023	ts_4_path_b_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	CC-PVTZ GEN	-5924.0498845; Eh
	17-Oct-2023	int_1_c60_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	CC-PVTZ GEN	-5924.0340062; Eh
	17-Oct-2023	int_4_path_b_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	CC-PVTZ GEN	-5924.0268502; Eh
	17-Oct-2023	ts_5_path_b_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	CC-PVTZ GEN	-5924.0437737; Eh
	17-Oct-2023	rc_da_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	CC-PVDZ	-3433.53947521; Eh
	17-Oct-2023	int_5_path_b_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	CC-PVDZ GEN	-5922.66900904; Eh
	17-Oct-2023	ts_1_common_up_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	CC-PVTZ GEN	-3637.0020546; Eh
	17-Oct-2023	ts_4_path_b_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB3LYP	CC-PVDZ GEN	-5922.64551760; Eh

Results 11-20 of 42 (Search time: 0.001 seconds).