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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/mMe_PhI Cu_Phen_C6F5mMePh_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1779.35147030; Eh
	23-Sep-2022	/C6F5_Bpin/mMe_PhI Cu_Phen_C6F5_mMePhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1779.27072365; Eh
	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 Cu_Phen_C6F5	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1496.85187782; 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
	4-Sep-2023	bp86SP_H5	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	6-311+G(D,P) SDD GENECP	-1140.2013973; Eh
	23-Sep-2022	/R_PhI pCF3-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-580.110130697; Eh

Results 29141-29150 of 103542 (Search time: 0.018 seconds).