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Showing results 1 to 4 of 4

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Sep-2017	/Gaussian09_calculations/opt SI_opt	Roser, Morales	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UBP86	6-31g(d,p); SDD	-4002.85870815; Eh
	12-Sep-2017	/Gaussian09_calculations/opt SI_raman	Roser, Morales	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	UBP86	6-31g(d,p); SDD	-4002.85874846; Eh
	12-Sep-2017	/Gaussian09_calculations/opt SIII_opt	Roser, Morales	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UBP86	6-31g(d,p); SDD	-4002.85870815; Eh
	12-Sep-2017	/Gaussian09_calculations/opt SIII_raman	Roser, Morales	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	UBP86	6-31g(d,p); SDD	-4002.85950655; Eh

Showing results 1 to 4 of 4