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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Aug-2019	TSiso	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-311G* GEN*	-1423.30755574; Eh
	10-Jan-2020	HC_OCO2_n1_M062X_tol	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-3170.21675640; Eh
	10-Jan-2020	PCa_TMA_M062X_tol	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-3170.24525517; Eh
	10-Jan-2020	HC_Br_M062X_pca	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-3170.23044636; Eh
	10-Jan-2020	Reac_M062X_pca	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-3170.22140822; Eh
	10-Jan-2020	Reac_M062X_tol	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311+G(D,P)	-3170.20266708; Eh
	10-Jan-2020	TS2_M062X_pca	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-311+G(D,P)	-3170.20852948; Eh
	10-Jan-2020	TS2_PM7_pca	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	-	VSTO-6G ZDO	-0.237762156552; Eh
	10-Jan-2020	TS2_PM7_tol	Garay Ruiz, Diego	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	-	VSTO-6G ZDO	-0.211273866438; Eh
	19-Mar-2026	/VW V01W09O34-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-14.92605478; Eh

Results 19151-19160 of 103542 (Search time: 0.013 seconds).