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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-RuRh-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-432.43624638; eV
	12-Feb-2019	sa-ZnFe-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-70.60053590; eV
	8-Apr-2020	Capsule_M1	Petrus, Enric	ADF; 2019	Geometry optimization	OPBE	TZP	-
	6-Feb-2025	/InSnCl3_Pm3m HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 10:02:23) complex	Single point	DFT	-	-20.80331622; eV
	6-Aug-2020	/freq/intermediates/Ir/CCl hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-295.11604518; eV
	6-Aug-2020	/freq/intermediates/Ir/CCl top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-293.69813202; eV
	6-Aug-2020	/freq/intermediates/Rh/CHF fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-243.01550523; eV
	6-Aug-2020	/freq/intermediates/Ir/CF fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-296.86211357; eV
	24-Jul-2019	/pm6/propylene_carbonate hemicarbonate	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPM6	VSTO-6G ZDO	-0.402189358054; Eh
	24-Jul-2019	/pm6/propylene_carbonate propylene_carbonate	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPM6	VSTO-6G ZDO	-0.224678622671; Eh

Results 33091-33100 of 104515 (Search time: 0.02 seconds).