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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_H3	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	6-311+G(D,P) SDD GENECP	-1140.1746497; Eh
	23-Sep-2022	/R_PhI mmNMe2-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-511.025642571; Eh
	23-Sep-2022	/R_PhI mNMe2-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-377.049590714; Eh
	23-Sep-2022	/R_PhI mmOMe-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-472.126221323; Eh
	23-Sep-2022	/R_PhI mNO2-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-447.575068078; Eh
	23-Sep-2022	/R_PhI mNH2-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-298.432981272; Eh
	4-Sep-2023	bp86SP_Q4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	6-311+G(D,P) SDD GENECP	-1140.1993445; Eh
	4-Sep-2023	bp86SP_Q1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	6-311+G(D,P) SDD GENECP	-1140.1956615; Eh
	23-Sep-2022	/R_PhI/large_basis_sets pNMe2-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-661.5397796; Eh
	23-Sep-2022	/R_PhI/large_basis_sets pNH2-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-582.9085743; Eh

Results 27331-27340 of 103542 (Search time: 0.015 seconds).