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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru9_19_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	-1560.5498009; Eh
	6-Oct-2023	/SP_PBEPBE_GD3MBJ_C6H6 Ru10_11	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-2056.8776536; Eh
	6-Oct-2023	/GeomOpt_PBEPBE_GD3MBJ Ru12_11	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	GEN	-2457.24585316; Eh
	6-Oct-2023	/GeomOpt_PBEPBE_GD3MBJ 9	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-1238.3599649; Eh
	11-Dec-2023	/GeomOpt_OLYP_def2TZVPP A37	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP	DEF2SVPP DEF2TZVPP	-2141.4083358; Eh
	11-Dec-2023	/GeomOpt_OLYP_def2TZVPP P8	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP	DEF2SVPP DEF2TZVPP	-2091.1745847; Eh
	11-Dec-2023	/GeomOpt_OLYP_def2TZVPP 9	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; ROLYP	DEF2SVPP DEF2TZVPP	-2294.5652935; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_7_H2O_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	-1863.7135529; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP CH2O_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	-114.5326857; Eh

Results 111-120 of 188 (Search time: 0.002 seconds).