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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
4-Apr-2022	H	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	0.00000000000; Eh
4-Apr-2022	A_p	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-438.496083613; Eh
4-Apr-2022	G	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM062X	DEF2SVP	-835.937143819; Eh
4-Apr-2022	I	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM062X	DEF2SVP	-129.738049405; Eh
7-Sep-2022	B2plus	Kojasoy, Volga	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-781.765889819; Eh
7-Sep-2022	TS-AB	Kojasoy, Volga	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P)	-781.727000316; Eh
7-Sep-2022	Cplus	Kojasoy, Volga	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-781.760431239; Eh
7-Sep-2022	TS-BC	Kojasoy, Volga	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P)	-781.756806074; Eh
7-Sep-2022	1	Kojasoy, Volga	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-781.408844731; Eh
7-Sep-2022	B1plus	Kojasoy, Volga	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-781.768820381; Eh

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