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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/R_PhI/large_basis_sets mmMe-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-606.1862996; Eh
	23-Sep-2022	/R_PhI/large_basis_sets mMe-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-566.8553657; Eh
	23-Sep-2022	/R_PhBpin mCOMe-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-638.342080419; Eh
	23-Sep-2022	/R_PhBpin mF-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-584.919083243; Eh
	23-Sep-2022	/R_PhBpin mCN-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-577.932883571; 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 31081-31090 of 103542 (Search time: 0.019 seconds).