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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Apr-2019	/Common_species Carbene_Et3NHBF4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1767.83862757; Eh
	7-Apr-2019	/Catalytic_cycle_2 T4Anti_Re_Down_Cis_2	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1818.80779613; Eh
	7-Apr-2019	/Catalytic_cycle_1 T3_Et3NHBF4_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2190.34714402; Eh
	7-Apr-2019	/Catalytic_cycle_2 T4Syn_Re_Down_Cis_2	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1818.81027401; 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
	28-May-2022	/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-Cu-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-284.72326619; eV
	13-Apr-2021	4O-doped-Ni(100)-3x3-CH-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-418.89742106; eV
	19-Sep-2018	/2_electrons/1_H+/Mo2O2S6H B	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-2.92775459; Eh

Results 24441-24450 of 104471 (Search time: 0.016 seconds).