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Showing results 21 to 36 of 36 < previous

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Jan-2021	/Single_points Co-ppy-SCF3-s-2+-Ft-SP_NOT_GOOD	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G* GENECP*	-1748.9658554; Eh
	28-Jan-2021	/Single_points Co-ppy-SCF3-t	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G* GENECP*	-1749.3977219; Eh
	28-Jan-2021	/Single_points Co-ppy-SCF3-t-2+-NFa	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G* GENECP*	-1748.9854868; Eh
	28-Jan-2021	/Single_points Co-ppySCF3	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G* GENECP*	-1749.349029; Eh
	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 Co-SCF3ppy-t	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G* GENECP*	-1749.3569657; 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 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	/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 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 TS1-+2-t-f4-bs2_BAD	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G* GENECP*	-1748.969152; Eh
	28-Jan-2021	/Single_points TS1-s	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G* GENECP*	-1749.3408274; Eh
	28-Jan-2021	/Single_points TS1-t	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G* GENECP*	-1749.349035; Eh
	28-Jan-2021	/Single_points TS2-d-+	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G* GENECP*	-1749.2084176; 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

Showing results 21 to 36 of 36 < previous