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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2020	4T-red-CO-site-8	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1856.89197322; eV
	28-Oct-2020	LiHMDS-close_(monomer)	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-31G* 6-31+G* GEN*	-1530.11546052; Eh
	28-Oct-2020	LiHMDS-open_(dimer)	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-31G* 6-31+G* GEN*	-2410.86101493; Eh
	28-Oct-2020	LiHMDS-open_(monomer)	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-31G* 6-31+G* GEN*	-1530.10998935; Eh
	28-Oct-2020	LDA-open_(dimer)	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-31G* 6-31+G* GEN*	-1247.93422482; Eh
	28-Oct-2020	LDA-close_(dimer)	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RM062X	6-31G* 6-31+G* GEN*	-1247.93398405; Eh
	24-Jan-2020	/opt/Pt/CH3Br bri	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-234.55493198; eV
	24-Jan-2020	/opt/Rh/CH3Br hcp	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-272.46280769; eV
	24-Jan-2020	/opt/Rh/Br hcp	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-253.88683249; eV
	24-Jan-2020	/opt/Rh/H hcp	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-254.25740382; eV

Results 16491-16500 of 103542 (Search time: 0.01 seconds).