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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3Ts-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1089.46723036; Eh
	30-May-2021	/benchmarking/B3LYP_D3_6_311+Gdp dppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-3259.3991942; Eh
	27-Jun-2023	SP_E-D2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1364.8725616; Eh
	22-Jul-2018	/G09/G09_P1/H2 H2	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-1.17475627714; Eh
	22-Jul-2018	/G09/G09_P1/UO2_OH_NO3_H2O UO2_OH_NO3_H2O	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G; SDD*	-1060.29703069; Eh
	22-Jul-2018	/G09/G09_P1/Product Product	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G; SDD*	-2959.73691550; Eh
	22-Jul-2018	/G09/G09_P1/HNO3 HNO3	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-280.901855340; Eh
	22-Jul-2018	/G09/G09_P1/Py Py	Petrus, Enric	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-248.306049404; Eh
	27-Jun-2023	E-B1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-2015.92439017; Eh
	7-Jul-2020	TS2s	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G SDD GENECP*	-10019.8929556; Eh

Results 6211-6220 of 9943 (Search time: 0.008 seconds).