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Browsing by Author Kojasoy, Volga

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Showing results 61 to 80 of 218 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
9-Jan-2021	B-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	B-TS	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	B-TS-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
7-Sep-2022	B1plus	Kojasoy, Volga	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-781.768820381; Eh
7-Sep-2022	B2plus	Kojasoy, Volga	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-781.765889819; Eh
9-Jan-2021	B_	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	B_-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	B_-TS	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	B_-TS-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
4-Apr-2022	C	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-567.641502493; Eh
4-Apr-2022	C-TS	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	DEF2SVP	-1403.64714993; Eh
4-Apr-2022	C_p	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	DEF2SVP	-567.643797839; Eh
9-Jan-2021	Cat2-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	GENECP	-
9-Jan-2021	Cat2q	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GENECP	-
9-Jan-2021	Cat3	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	GENECP	-
9-Jan-2021	Cat3-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GENECP	-
9-Jan-2021	Cat3-gas	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	GENECP	-
9-Jan-2021	Cat4	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GENECP	-
9-Jan-2021	Cat6	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	GENECP	-
9-Jan-2021	Cat_1-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GENECP	-

Showing results 61 to 80 of 218 < previous next >