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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Sep-2023	/Scaling_factors HF_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-311++G(2D,2P)	-100.456089918; Eh
	14-Sep-2023	/Vanillin_benchmark Vanillin_(freq)_-_wB97X-D_6-311++G(2d,2p)_-_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	RwB97XD	6-311++G(2D,2P)	-535.310097609; Eh
	30-Jan-2023	ni_picyne_3_ts_3_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-4045.1186854; Eh
	30-Jan-2023	ni_picyne_3_ts_3_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-4042.24630297; Eh
	30-Jan-2023	t7h_pmm_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP	-2534.19471534; Eh
	30-Jan-2023	t7h_mmm_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP	-2534.18062394; Eh
	30-Jan-2023	t7h_ppm_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP	-2534.19471533; Eh
	30-Jan-2023	7_helicene_opt	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	DEF2SVP	-1152.88090721; Eh
	30-Jan-2023	t7h_mmm_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-2536.7778029; Eh
	30-Jan-2023	t7h_pmm_spe	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-2536.7912786; Eh

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