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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Jul-2017	/Methyl_substituent_(R=Me) I6-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2233.85204627; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) I9-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2233.82264766; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) I5-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ; 6-31G(d)	-2233.80654139; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) I2-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2233.80860415; Eh
	11-Apr-2021	/N_sulfonylguanidine n2-i1add-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1259.90667255; Eh
	11-Feb-2022	TpBr3CuNH_Si_t_v5	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2487.67684814; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) TS0-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	LANL2DZ; 6-31G(d)	-2233.75023057; Eh
	9-Nov-2018	/vacuum/complexes pcl3oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2037.52567426; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) TS7-2-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ; 6-31G(d)	-2233.80774099; Eh
	19-Jul-2017	/Methyl_substituent_(R=Me) TS1-Me	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	LANL2DZ; 6-31G(d)	-2233.80215972; Eh

Results 1421-1430 of 12842 (Search time: 0.004 seconds).