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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Mar-2024	/main/substituted_derivatives Azapentalene_17	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-311+G(D,P)	-3166.11350735; Eh
	5-Mar-2024	/main/substituted_derivatives Azapentalene_14	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-311+G(D,P)	-8313.18497577; 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
	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_25	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-311+G(D,P)	-6460.49295031; 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_24	Mayer, Péter	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-311+G(D,P)	-823.683058594; Eh
	18-Sep-2023	/method_selection/UVVis azapent_m11l_b3_uv_dichloromethane	Mayer, Péter	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP; TD-FC	6-311+G(D,P)	-592.5707302; Eh
	18-Sep-2023	/method_selection/UVVis azapent_m11_b3_uv_dichloromethane	Mayer, Péter	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP; TD-FC	6-311+G(D,P)	-592.5769386; Eh
	18-Sep-2023	/method_selection/UVVis azapent_m06_b3_uv_dichloromethane	Mayer, Péter	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP; TD-FC	6-311+G(D,P)	-592.5774385; Eh

Results 1-10 of 35 (Search time: 0.001 seconds).