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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Oct-2023	/SP_PBEPBE_GD3MBJ_C6H6 Ru12_9	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GENECP	-2771.96860569; Eh
	6-Oct-2023	/SP_PBEPBE_GD3MBJ_C6H6 styrene	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBEPBE	GEN	-309.381907183; Eh
	6-Oct-2023	/GeomOpt_PBEPBE_GD3MBJ Ru26	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1532.6854014; Eh
	6-Oct-2023	/GeomOpt_PBEPBE_GD3MBJ Ru10_9A	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	GEN	-2370.97017649; Eh
	6-Oct-2023	/GeomOpt_PBEPBE_GD3MBJ propene	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-117.7389006; Eh
	14-Sep-2023	/Scaling_factors H2O_(opt-freq)_-_PBE_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	6-311++G(2D,2P)	-76.3759808747; Eh
	14-Sep-2023	/Scaling_factors NH3_(opt-freq)_-_PBE_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	6-311++G(2D,2P)	-56.5086196684; Eh
	14-Sep-2023	/Scaling_factors N2O_(opt-freq)_-_PBE_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	6-311++G(2D,2P)	-184.550699523; Eh
	14-Sep-2023	/Scaling_factors HCN_(opt-freq)_-_PBE_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	6-311++G(2D,2P)	-93.3398727288; Eh
	14-Sep-2023	/Scaling_factors N2_(opt-freq)_-_PBE_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	6-311++G(2D,2P)	-109.442531686; Eh

Results 192721-192730 of 192740 (Search time: 0.152 seconds).