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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts W_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-152.872875832; Eh
	11-Apr-2021	/N_sulfonylguanidine n2-i2-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1259.87028264; Eh
	26-Oct-2017	/Other_Phosphines TS-4-5-I-PMe2Ph	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2371.43028050; Eh
	26-Oct-2017	/Other_Phosphines NiPMe2Ph-2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1475.29545173; Eh
	26-Oct-2017	/Other_Phosphines PPh3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-1036.54805321; Eh
	26-Oct-2017	/Other_Phosphines 5-I_T-PMe2Ph	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2371.44128873; Eh
	26-Oct-2017	/Other_Phosphines 1-I-PPh3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-3522.20848963; Eh
	26-Oct-2017	/Toluene TS_H_abstraction_Toluene	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-503.285594423; Eh
	26-Oct-2017	/Other_Phosphines PMe2Ph	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-652.964031445; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Minima Imine_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-482.912078597; Eh

Results 131-140 of 12258 (Search time: 0.004 seconds).