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Showing results 21 to 40 of 348 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
9-Jan-2021	7-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	7-b_	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	7_	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	8-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	6-31G(D)	-
9-Jan-2021	9-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	6-31G(D)	-
9-Jan-2021	A	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	A-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	A_	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	A_-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
30-Sep-2021	adduct_RhIII-H-1e_H5O2	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1148.63495270; Eh
30-Sep-2021	adduct_RhIII-H-1e_H5O2_EMIM	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1493.17816227; Eh
9-Jan-2021	Anti-4a	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	Anti-4a-b	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	6-31G(D)	-
9-Jan-2021	Anti-4a-b_	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
9-Jan-2021	Anti-4a_	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D)	-
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)	-
9-Jan-2021	B_	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-

Showing results 21 to 40 of 348 < previous next >