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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom137_nox_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1087.8460425; Eh
	21-Jun-2019	/M062X Int3_Ni_B_CCs	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	LanL2DZ; 6-311G**	-1446.05166896; Eh
	21-Jun-2019	/M062X PreProd_O_B	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	LanL2DZ; 6-311G**	-1446.08894394; Eh
	21-Jun-2019	/M062X Int1-Ni	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	LanL2DZ; 6-311G**	-1014.95368414; Eh
	21-Jun-2019	/M062X Cs2CO3	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	LanL2DZ; 6-311G**	-303.531425388; Eh
	21-Jun-2019	/M062X Cat	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	LanL2DZ; 6-311G**	-631.252139205; Eh
	21-Jun-2019	/M062X B2pin2	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311G**	-822.431040656; Eh
	21-Jun-2019	/M062X React1	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311G**	-383.619124274; Eh
	9-Jan-2026	/redCO2 Ag(111)-(3x3)-CO-Bmim+	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-249.80112397; eV
	21-Jun-2019	/M062X Int3_Ni_B_OCs	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	LanL2DZ; 6-311G**	-1446.03253789; Eh

Results 34881-34890 of 103542 (Search time: 0.022 seconds).