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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Jun-2023	SP_smC-E	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-959.7897947; Eh
	27-Jun-2023	tsBrotjp	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-2674.59335203; Eh
	17-Apr-2019	/Methylation_of_MeTDA2_to_MeTDA5 MeTDA2diss+DMC_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1348.20245771; eV
	30-Sep-2021	/Water/TS_water ch3ooh-nh3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-247.456192865; Eh
	30-Jan-2019	/Gas_Opt/B3LYP/IC/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311G**	-1491.1613417; Eh
	27-Jun-2023	prodC-E	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-959.584271495; Eh
	22-Feb-2020	XIX	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2981.43050586; Eh
	22-Feb-2020	TSVII_VIII_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-3061.1927065; Eh
	22-Feb-2020	XIX_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-2982.3123692; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts I_N_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-696.090842746; Eh

Results 17931-17940 of 104512 (Search time: 0.01 seconds).