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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Dec-2023	/GeomOpt_OLYP_SMDbenzene NC1	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP	LANL2MB LANL2DZ	-526.881516; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_20_CH2O_PR2	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RHF; ROLYP; RB3LYP	LANL2MB LANL2DZ LANL2DZ/AUTO GENECP	-1895.0386051; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_19_PMe3_PR2	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP; RB3LYP	LANL2MB LANL2DZ LANL2DZ/AUTO GENECP	-1608.2330266; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru9_8_PR2	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 03; EM64L-G03RevE.01	Geometry optimization Minimum	RHF; ROLYP; RB3LYP	LANL2MB LANL2DZ LANL2DZ/AUTO GENECP	-2157.6640255; Eh
	6-Oct-2023	/GeomOpt_PBEPBE_GD3MBJ Ru9_11	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2056.9002513; Eh
	6-Oct-2023	/GeomOpt_PBEPBE_GD3MBJ Ru20_9	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2449.5114292; Eh
	6-Oct-2023	/GeomOpt_PBEPBE_GD3MBJ pyridine	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-247.8995485; Eh
	11-Dec-2023	/GeomOpt_OLYP_SMDbenzene H3	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP	LANL2MB LANL2DZ	-389.365866; Eh
	11-Dec-2023	/GeomOpt_OLYP_SMDbenzene CO	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP	LANL2MB LANL2DZ	-276.5292684; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_9_PMe3_PR2	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP; RB3LYP	LANL2MB LANL2DZ LANL2DZ/AUTO GENECP	-1529.602306; Eh

Results 161-170 of 238 (Search time: 0.001 seconds).