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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Oct-2020	LDA-close_(monomer)	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-31G* 6-31+G* GEN*	-948.652964408; Eh
	28-Oct-2020	LDA-open_(monomer)	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-31G* 6-31+G* GEN*	-948.648535613; Eh
	28-Oct-2020	6-close	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-31G* 6-31+G* GEN*	-1740.68273272; Eh
	28-Oct-2020	2-open	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-31G* 6-31+G* GEN*	-2233.49839169; Eh
	28-Oct-2020	6-open	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-31G* 6-31+G* GEN*	-1740.67496453; Eh
	28-Oct-2020	3-open	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-31G* 6-31+G* GEN*	-2074.34133784; Eh
	28-Oct-2020	3-close	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-31G* 6-31+G* GEN*	-2074.35025915; Eh
	28-Oct-2020	2-close	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RM062X	6-31G* 6-31+G* GEN*	-2233.50517740; Eh
	24-Jan-2020	/opt/Rh/CH2 top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-265.90515734; eV
	29-Jul-2021	i221103+i111102-i33220a+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-173.56175307; eV

Results 16501-16510 of 103542 (Search time: 0.01 seconds).