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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	/C6F5_Bpin/PhI/large_basis_sets TMTS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1851.2667528; Eh
	23-Sep-2022	/C6F5_Bpin/PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2024.7601298; Eh
	23-Sep-2022	/C6F5_Bpin/PhI/large_basis_sets Ph-C6F5	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-959.754377; Eh
	23-Sep-2022	/C6F5_Bpin/mMe_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1779.23218698; Eh
	23-Sep-2022	/R_PhI pOH-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-318.293323210; Eh
	23-Sep-2022	/R_PhI pOMe-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-357.599557328; Eh
	23-Sep-2022	/C6F5_Bpin/pCF3_PhI/large_basis_sets Cu_Phen_C6F5_pCF3PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2361.9511908; Eh
	23-Sep-2022	/C6F5_Bpin/pCF3_PhI Cu_Phen_C6F5_pCF3PhC6F5_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-2077.06906841; Eh
	23-Sep-2022	/C6F5_Bpin/Bpin_real/large_basis_sets Cu_phen_F_C6F5-Bpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2008.6090826; Eh
	23-Sep-2022	/C6F5_Bpin/pCF3_PhI Cu_Phen_C6F5_pCF3PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-2076.99251389; Eh

Results 24831-24840 of 100175 (Search time: 0.016 seconds).