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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Feb-2019	sa-NiZn-0000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-247.48830017; eV
	4-Jan-2022	CeCeCe	Garay Ruiz, Diego	ADF; 2019	Geometry optimization	BP86	TZP; DZP	-
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS22_VII TSS22-VII	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-2333.77770912; Eh
	3-Oct-2019	gas_sp2_ts_pdph3_s_trans	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3274.16999109; Eh
	3-Oct-2019	gas_sp2_ts_pdph3_s_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3274.16999108; Eh
	20-Feb-2024	/CsSnX3/CsSnBr3/Cubic PBEsol-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-19.52324520; eV
	6-Aug-2020	/freq/intermediates/Ag/CF top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-109.67932162; eV
	12-Feb-2019	sa-CdFe-0000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-42.25706290; eV
	12-Feb-2019	sa-IrFe-0000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-407.07182644; eV
	4-Jan-2022	ErErEr	Garay Ruiz, Diego	ADF; 2019	Geometry optimization	BP86	TZP; DZP	-

Results 24221-24230 of 106051 (Search time: 0.017 seconds).