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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Sep-2023	bp86SP_I4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	6-311+G(D,P) SDD GENECP	-1061.5439717; Eh
	23-Sep-2022	/R_PhI pCOMe-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-395.727960103; Eh
	23-Sep-2022	/R_PhI pCN-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-335.317699787; Eh
	23-Sep-2022	/R_PhI pF-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-342.304332655; Eh
	23-Sep-2022	/R_PhI pMe-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-282.393222240; Eh
	23-Sep-2022	/R_PhI PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-243.072737548; Eh
	4-Sep-2023	bp86SP_I5	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	6-311+G(D,P) SDD GENECP	-1061.5416506; Eh
	23-Sep-2022	/R_PhI/large_basis_sets mmNMe2-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-795.5548857; Eh
	6-Sep-2024	/BP86/Nb Nb08O25-4H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	23-Sep-2022	/R_PhI/large_basis_sets mNMe2-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-661.540116; Eh

Results 24441-24450 of 100263 (Search time: 0.014 seconds).