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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2021	/GeomOpt_wB97XD M21	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	GENECP GEN	-3880.66169553; Eh
	28-Feb-2021	/GeomOpt_wB97XD M12	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RHF; RwB97XD	GENECP GEN	-3959.2336556; Eh
	28-Feb-2021	/GeomOpt_wB97XD M7	Foscato, Marco	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	GEN	-3959.23408203; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru9_10_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	-1749.8867332; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_23_H2O_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	-1856.9523211; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_21_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	-1816.4193081; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_21_H2O_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	-1778.3456919; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_23_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	-1895.0270653; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_23_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	-1906.8037422; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru9_23_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	-1859.1170805; Eh

Results 171-180 of 299 (Search time: 0.002 seconds).