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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-May-2026	/7MCCs BnO⁻ (deprotonated benzyl alcohol initiator)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-346.184554833; Eh
	13-May-2026	/5MCCs/5MCC_Cyclohexane (1e) ts2rop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	wb97xd	6-311G(D,P)	-1784.92355411; Eh
	13-May-2026	/7MCCs/7MCC (3a) a1_ts3prop	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	wb97xd	6-311G(D,P)	-2048.68963428; Eh
	26-Jan-2017	3c+H	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G*	-842.877832890; Eh
	24-Jan-2019	/Reductive_Elimination 8	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G**	-1644.3236948; Eh
	22-Feb-2020	V	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-3021.98855971; Eh
	28-Nov-2017	ss-PtAg-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-275.71703280; eV
	28-Nov-2017	ss-CuIr-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-259.42188028; eV
	28-Nov-2017	ss-PtAu-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-279.98970766; eV
	28-Nov-2017	ss-PtCu-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-268.66421907; eV

Results 8091-8100 of 103542 (Search time: 0.006 seconds).