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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/pCF3_Bpin/pNMe2_PhI/large_basis_sets Cu_Phen_pCF3Ph_pNMe2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1999.6343199; Eh
	23-Sep-2022	/pF_Bpin/PhI/large_basis_sets TMTS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1454.2088471; Eh
	23-Sep-2022	/pF_Bpin/PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1627.692268; Eh
	23-Sep-2022	/pF_Bpin/PhI/large_basis_sets pFPh-Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-562.7200706; Eh
	23-Sep-2022	/pCF3_Bpin/PhI TMTS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1691.65058567; Eh
	23-Sep-2022	/pCF3_Bpin/PhI pCF3Ph-Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-800.362470843; Eh
	23-Sep-2022	/mmMePh_Bpin TMTS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1433.24959621; Eh
	23-Sep-2022	/mmMePh_Bpin OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1322.39274846; Eh
	23-Sep-2022	/pCF3_Bpin/PhI/large_basis_sets Cu_Phen_F_pCF3PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1692.1197416; Eh
	23-Sep-2022	/pCF3_Bpin/pNMe2_PhI Cu_Phen_pCF3Ph_pNMe2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1714.81263672; Eh

Results 24731-24740 of 100175 (Search time: 0.016 seconds).