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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Jan-2024	/Rh2(OAc)4_system TS2_Ph-cis	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-1818.27407956; Eh
	9-Jan-2024	/Rh2(OAc)4_system 2_Ph-trans	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1708.77876298; Eh
	9-Jan-2024	/Rh2(OAc)4_system 2_Ph-cis	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1708.78022182; Eh
	9-Jan-2024	/Rh2(OAc)4_system TS3_Ph	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-1708.74985766; Eh
	9-Jan-2024	/Rh2(s-dosp)4_system dosp_TS0_abbb_cis	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-5625.17377061; Eh
	5-Mar-2024	/main/substituted_derivatives Azapentalene_26	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-311+G(D,P)	-4607.80164946; Eh
	5-Mar-2024	/main/substituted_derivatives Azapentalene_27	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-311+G(D,P)	-1313.41822891; Eh
	5-Mar-2024	/main/substituted_derivatives Azapentalene_23	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-311+G(D,P)	-1285.89219402; Eh
	16-Apr-2024	Ni_bpy_bpy_bpy_2+_M=1_G16_B3LYP+GD3BJ;def2SVPP;SF_	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2SVPP	-2993.02954747; Eh
	16-Apr-2024	Ni_bpy_bpy_2+_M=1_G16_B3LYP+GD3BJ;def2TZVPP;SF_	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-2499.22312705; Eh

Results 19161-19170 of 19334 (Search time: 0.015 seconds).