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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jan-2020	/opt_freq/Co/CHBr fcc	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-257.23733145; eV
	24-Jan-2020	/opt_freq/Ag/CBr fcc	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-109.00842328; eV
	24-Jan-2020	/opt_freq/Co/CH2 fcc	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-261.62288353; eV
	24-Jan-2020	/opt_freq/Co/CBr fcc	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-256.07084196; eV
	24-Jan-2020	/opt_freq/Cu/Br fcc	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-137.76709369; eV
	27-Jun-2023	smC-Z	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-959.512891922; Eh
	7-Mar-2024	SP_C4d	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-2023.5694888; Eh
	24-Jul-2020	Mo5O16_2H_BLYP	Petrus, Enric	ADF; 2019	Geometry optimization	BLYP	TZP	-6.02682800; Eh
	24-Jul-2020	Mo5O17_2H_BLYP	Petrus, Enric	ADF; 2019	Geometry optimization	BLYP	TZP	-6.67796076; Eh
	24-Jul-2020	Mo6O20_1H_BLYP	Petrus, Enric	ADF; 2019	Geometry optimization	BLYP	TZP	-7.81717490; Eh

Results 16351-16360 of 103542 (Search time: 0.011 seconds).