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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_8_PMe3_PR2	Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., Jensen	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	ROLYP; RB3LYP	LANL2DZ LANL2DZ/AUTO GENECP	-2205.3519148; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_9_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	-1479.7510775; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_10_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	-1747.7152631; 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
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_10_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	-1797.568956; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru9_9_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	-1481.9188846; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M1	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-1444.5065045; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M2	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GEN	-1444.5307359; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M17	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1493.0227482; Eh
	14-Mar-2024	/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M20	Foscato, Marco	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RHF; RPBEPBE	GENECP GEN	-1146.2682235; Eh

Results 541-550 of 630 (Search time: 0.001 seconds).