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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 Co-ppySCF3-2+-s	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G* GENECP*	-1749.0313536; 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	/Single_points MECP1-bs2-s	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G* GENECP*	-1749.3945753; 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	/Optimizations Co-ppy-SCF3	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	LANL2DZ 6-31G GENECP*	-1749.02702700; 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-ppySCF3-s	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	LANL2DZ 6-31G GENECP*	-1748.96966337; Eh
	28-Jan-2021	/Optimizations TS1-t	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UM06	LANL2DZ 6-31G GENECP*	-1748.96733843; Eh
	28-Jan-2021	/Optimizations TS1-s	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	LANL2DZ 6-31G GENECP*	-1748.96058500; Eh

Results 3581-3590 of 12842 (Search time: 0.004 seconds).