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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jan-2023	pd_picyne_3_pph3_ts_2_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP GEN	-3701.0787769; Eh
	30-Jan-2023	pd_picyne_3_pph3_int_4_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP GEN	-3701.1386158; Eh
	30-Jan-2023	pd_picyne_3_pph3_int_2_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP GEN	-3701.1030119; Eh
	30-Jan-2023	pd_picyne_3_pph3_ts_1_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP GEN	-3700.9956025; Eh
	30-Jan-2023	pd_picyne_3_pph3_ts_2_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP GEN	-3697.52333609; Eh
	30-Jan-2023	pd_picyne_3_pph3_ts_1_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	RwB97XD	DEF2SVP GEN	-3697.44064585; Eh
	30-Jan-2023	oxydipicene_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-1767.6357852; Eh
	30-Jan-2023	picene_BrH_O	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2TZVP	-3495.64920814; Eh
	30-Jan-2023	t7h_pmm_ppm_opt_ts	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-2534.09653624; Eh
	30-Jan-2023	t7h_mmm_pmm_opt_ts	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-2534.11011575; Eh

Results 21-30 of 65 (Search time: 0.001 seconds).