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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Sep-2024	TS(SI7-IIIa)	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	SDD 6-31G(D,P) GENECP	-4899.43198091; Eh
	28-Aug-2024	AFtskcn4attack_scan1561_9	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.48407492; Eh
	28-Aug-2024	AFtskcn4attack_scan936_10	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.48710373; Eh
	28-Aug-2024	AFtskcn4attack_scan1561	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.48013222; Eh
	29-Jul-2024	TSB3b_alt	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) SDD GENECP	-1305.16876635; Eh
	29-Jul-2024	TSB3biso	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1305.16272881; Eh
	29-Jul-2024	TSB3b	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1305.14791988; Eh
	29-Jul-2024	TSB3c	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1305.17302273; Eh
	28-Aug-2024	AFtskcn4attack_scan1561_10	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.48107802; Eh
	11-Sep-2024	VIIIb´	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G LANL2DZ GENECP*	-1226.42597489; Eh

Results 1931-1940 of 100136 (Search time: 0.005 seconds).