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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Oct-2017	/THF TS_H_abstraction_THF	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-464.165098393; Eh
	26-Oct-2017	/THF 8-Br-PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-1336.64535174; Eh
	26-Oct-2017	/THF 3-Cl-PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-1783.76597845; Eh
	30-Sep-2021	/Water/TS_water ch3cf3-oh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-453.560260186; Eh
	9-Nov-2018	/vacuum/complexes pcl3cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2034.69737182; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts A_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-422.002807824; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts A_N_N_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-773.130678528; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts A_N_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-635.788346306; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts N_N_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-504.004219595; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts N_W_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-366.666483907; Eh

Results 101-110 of 12258 (Search time: 0.005 seconds).