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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Nov-2017	ss-PdIr-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-282.69732137; eV
	22-Jul-2018	/ADF/ADF_P303/Py Py	Petrus, Enric	ADF; 2016	Single point Minimum	DFT	TZP	-
	12-Feb-2019	ss-AuIr-2322	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-247.05240304; eV
	12-Feb-2019	ss-AuPd-2314	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-210.60432610; eV
	12-Feb-2019	ss-AuCo-2501	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-225.67143794; eV
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts A_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-422.002807824; Eh
	29-Feb-2016	ICp-a-cis-cis-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3793.40223834; Eh
	29-Feb-2016	FCa-cis-cis-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2464.26859955; Eh
	28-Nov-2017	ss-PdCu-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-226.41396176; eV
	30-Jul-2020	rol3_freq_TS_HBr	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-661.81201707; eV

Results 2071-2080 of 104079 (Search time: 0.005 seconds).