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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jan-2023	picene_Br_OH	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2TZVP	-3495.63571230; Eh
	30-Jan-2023	t7h_pmm_ppm_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-2536.6953098; Eh
	30-Jan-2023	t7h_mmm_pmm_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-2536.7100187; Eh
	15-Jun-2023	t7h_pmm_ppm_opt_ts_bis	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-2534.12996405; Eh
	15-Jun-2023	t7h_pmm_ppm_spe_bis	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-2536.7305642; Eh
	30-Jan-2023	pd_picyne_3_pph3_int_5_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP GEN	-3697.58925876; Eh
	30-Jan-2023	pd_picyne_3_pph3_int_1_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP GEN	-3697.46620095; Eh
	30-Jan-2023	pd_picyne_3_pph3_int_3_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP GEN	-3697.54119912; Eh
	30-Jan-2023	pd_picyne_3_pph3_int_5_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP GEN	-3701.1366379; Eh
	30-Jan-2023	pd_picyne_3_pph3_int_1_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP GEN	-3701.0278685; Eh

Results 31-40 of 65 (Search time: 0.001 seconds).