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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Mar-2018	L8b_S2_NH3_TS_endo_S_trans	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3203.01728000; Eh
	23-Mar-2018	L5c_S1_DMM_olefin_exo_trans	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G; lanl2dz*	-3759.00103219; Eh
	23-Mar-2018	L8b_S2_NH3_TS_endo_S	Biosca, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3203.01914703; Eh
	23-Mar-2018	L5c_S1_DMM_olefin_exo	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G; lanl2dz*	-3758.99872369; Eh
	23-Mar-2018	L8b_S2_NH3_TS_exo_S	Biosca, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3203.02007890; Eh
	23-Mar-2018	L8b_S2_NH3_TS_endo	Biosca, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3203.01103320; Eh
	23-Mar-2018	L8b_S2_NH3_TS_exo	Biosca, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3203.01399456; Eh
	23-Mar-2018	L5c_S1_DMM_olefin_exo_S	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-
	19-Mar-2026	/Nb Nb04O13-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-6.12561009; Eh
	23-Mar-2018	L5c_S1_DMM_olefin_endo_S_trans	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G; lanl2dz*	-3758.99759602; Eh

Results 13961-13970 of 103542 (Search time: 0.011 seconds).