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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Jan-2020	HC_OCO2_n1_PM7_tol	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	-	VSTO-6G ZDO	-0.256255435922; Eh
	10-Jan-2020	HC_OCO2_n1_PM7_pca	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	-	VSTO-6G ZDO	-0.273837473051; Eh
	10-Jan-2020	PCa_TMA_PM7_tol	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	-	VSTO-6G ZDO	-0.267883431896; Eh
	10-Jan-2020	HC_Br_PM7_pca	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	-	VSTO-6G ZDO	-0.272320108387; Eh
	10-Jan-2020	PCa_TMA_PM7_pca	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	-	VSTO-6G ZDO	-0.282111555794; Eh
	10-Jan-2020	Reac_PM7_tol	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	-	VSTO-6G ZDO	-0.231409303681; Eh
	10-Jan-2020	TS1_PM7_tol	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	-	VSTO-6G ZDO	-0.190051891474; Eh
	21-Jun-2017	Cu-2621	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-225.38808934; eV
	21-Jun-2017	Rh-2101	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-355.18581294; eV
	21-Jun-2017	Pt-1011	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 13 2015 15:04:06) complex	Geometry optimization	-	-	-299.55949751; eV

Results 18501-18510 of 103928 (Search time: 0.01 seconds).