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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Sep-2023	bmkSP_TSI4-5	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBMK	6-311+G(D,P) SDD GENECP	-1060.2221702; Eh
	4-Sep-2023	bmkSP_TSQ4-7	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBMK	6-311+G(D,P) SDD GENECP	-1138.8058374; Eh
	23-Sep-2022	/R_PhBpin mNMe2-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-619.662006152; Eh
	23-Sep-2022	/R_PhBpin mNO2-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-690.191341277; Eh
	23-Sep-2022	/cm5 C6F5_Bpin	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-982.1351877; Eh
	26-Feb-2024	ch3nc5h5-hcoo-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-552.606226810; Eh
	26-Feb-2024	ch3hcooo-s-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-702.667897012; Eh
	6-Feb-2025	/MASnI3_Pm3m OPT	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Geometry optimization	DFT	-	-51.85990995; eV
	23-Sep-2022	/cm5 C6F5I	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-1023.8222179; Eh
	6-Sep-2024	/BP86/Nb Nb08O25-3H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-

Results 24941-24950 of 100175 (Search time: 0.015 seconds).