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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Apr-2019	/Catalytic_cycle_1 I3_Et3NHBF4_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-2190.36713622; Eh
	7-Apr-2019	/Common_species Carbene_Et3NHBF4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1767.83862757; Eh
	7-Apr-2019	/Common_species NHC_carbene	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1051.13539512; Eh
	7-Apr-2019	/Catalytic_cycle_2 Tropone	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-345.134509920; Eh
	7-Apr-2019	/Common_species Et3N	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-292.038515828; Eh
	7-Apr-2019	/Catalytic_cycle_1 I5Anti_Si_Up_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-2278.28655131; Eh
	13-Sep-2023	nbnh24-H2eta1_vacuum	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GENECP*	-281.883825414; Eh
	13-Sep-2023	mosh3_H2eta1_vacuum	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GENECP*	-1265.51951634; Eh
	13-Sep-2023	oso32_H2eta1_vacuum	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GENECP*	-316.512778928; Eh
	13-Sep-2023	cro3-H2eta1_vacuum	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GENECP*	-313.827545598; Eh

Results 141-150 of 193 (Search time: 0.002 seconds).