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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Jan-2021	/Single_points q-Co-ppySCF3-+	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G* GENECP*	-1749.2296195; Eh
	28-Jan-2021	/Single_points d-Co-ppySCF3-+	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G* GENECP*	-1749.233539; Eh
	28-Jan-2021	/Single_points Co-ppySCF3-2+-t	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G* GENECP*	-1749.0327711; Eh
	28-Jan-2021	/Single_points MECP1-bs2-t	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G* GENECP*	-1749.3977942; Eh
	28-Jan-2021	/Optimizations Co-ppy-SCF3-t	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	LANL2DZ 6-31G GENECP*	-1749.01096832; Eh
	28-Jan-2021	/Single_points TS3-t-2+	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G* GENECP*	-1748.9691879; Eh
	28-Jan-2021	/Optimizations Co-ppy-SCF3-q-+	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	LANL2DZ 6-31G GENECP*	-1748.81743254; Eh
	28-Jan-2021	/Optimizations Co-ppySCF3-+_q	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	LANL2DZ 6-31G GENECP*	-1748.85210958; Eh
	28-Jan-2021	/Optimizations Co-ppySCF3-t	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	LANL2DZ 6-31G GENECP*	-1748.97719291; Eh
	28-Jan-2021	/Optimizations TS2-Co+-d	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UM06	LANL2DZ 6-31G GENECP*	-1748.83273464; Eh

Results 41-50 of 162 (Search time: 0.002 seconds).