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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/mmMePh_Bpin/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1607.0812691; Eh
	23-Sep-2022	/mmMePh_Bpin/large_basis_sets mmMePh-Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-542.1119477; Eh
	23-Sep-2022	/R_PhI pNH2-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-298.433018047; Eh
	23-Sep-2022	/C6F5_Bpin/pMe_PhI/large_basis_sets Cu_Phen_C6F5_pMePhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2064.1275086; Eh
	4-Sep-2023	D4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-908.933575648; Eh
	23-Sep-2022	/C6F5_Bpin/pNO2_PhI Cu_Phen_C6F5_pNO2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1944.45464308; Eh
	23-Sep-2022	/C6F5_Bpin/pNO2_PhI/large_basis_sets pNO2Ph-C6F5	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1164.3241688; Eh
	23-Sep-2022	/C6F5_Bpin/pNO2_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2229.336776; Eh
	23-Sep-2022	/C6F5_Bpin/pF_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2124.0287417; Eh
	23-Sep-2022	/mmMePh_Bpin/large_basis_sets TMTS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1433.5984373; Eh

Results 24791-24800 of 100175 (Search time: 0.015 seconds).