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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/common CsI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	SDD GEN	-31.7317387598; Eh
	23-Sep-2022	/common F	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-99.9002251911; Eh
	23-Sep-2022	/common I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	SDD GEN	-11.6071141879; Eh
	27-Sep-2022	fe4co4	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	GEN	-14883.8377281; Eh
	23-Sep-2022	/R_PhBpin/large_basis_sets pNMe2-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-619.8462734; Eh
	23-Sep-2022	/R_PhBpin/large_basis_sets pNH2-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-541.2149256; Eh
	23-Sep-2022	/R_PhI/large_basis_sets mCF3-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-864.6777259; Eh
	23-Sep-2022	/R_PhI/large_basis_sets mCl-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-987.1495276; Eh
	23-Sep-2022	/R_PhI/large_basis_sets mCN-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-619.7955939; Eh
	23-Sep-2022	/OATS C6F5-pOH	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1815.13067802; Eh

Results 25051-25060 of 100136 (Search time: 0.017 seconds).