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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_7_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	-1913.5634208; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru9_7_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	-1865.8770782; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP water_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	-76.452858; Eh
	15-Oct-2021	/SP_M06L_GD3_CHCl3 M53	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	GEN	-2082.06766119; Eh
	15-Oct-2021	/SP_M06L_GD3_CHCl3 M24	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	GEN	-2082.05512933; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M27	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2080.50224363; 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
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M35	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2080.47794232; Eh
	15-Oct-2021	/SP_PBEPBE_GD3MBJ_CHCl3 M34	Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RPBEPBE	GENECP	-2080.47597388; Eh
	6-Oct-2023	/GeomOpt_OLYP_SP_B3LYP Ru8_22_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	-1753.7336404; Eh

Results 511-520 of 630 (Search time: 0.002 seconds).