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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jun-2019	/M062X Prev_benzofuran2	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	LanL2DZ; 6-311G**	-1712.76660419; Eh
	21-Jun-2019	/M062X TS4O_B	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	LanL2DZ; 6-311G**	-1446.05569034; Eh
	21-Jun-2019	/M062X TS1_benzofuran2	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	LanL2DZ; 6-311G**	-1712.72156680; Eh
	21-Jun-2019	/M062X TS1-model	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	LanL2DZ; 6-311G**	-1014.89071339; Eh
	21-Jun-2019	/M062X TS1-pirrol	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	LanL2DZ; 6-311G**	-1692.88917279; Eh
	21-Jun-2019	/M062X TS1	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	LanL2DZ; 6-311G**	-1712.75632121; Eh
	2-Apr-2020	C_triplet_(Cu-N2O2)	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	SDD 6-31G* 6-31+G* GEN*	-2399.00105697; Eh
	28-May-2022	/AuPd-CuPd-NiAl AuPd3-bulk	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-19.06588616; eV
	8-Oct-2019	/Racemization/TMA_Cat/M06_2X/TS1 TS1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-311G(D,P)	-631.314708533; Eh
	8-Oct-2019	/Decarboxylation/M06_2X/TS TS	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-311G(D,P)	-456.777838702; Eh

Results 34901-34910 of 103542 (Search time: 0.021 seconds).