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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jul-2018	/Ru-iPr-OAc-Second_Reaction-BSSE TS-I7-5	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2448.23064401; Eh
	16-Jul-2018	/Ru-iPr-OAc-Second_Reaction-BSSE TS-4-I4	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2448.24663038; Eh
	16-Jul-2018	/Ru-iPr-Cl-First_Reaction-BSSE 1	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2063.20549335; Eh
	16-Jul-2018	/Ru-iPr-Cl-First_Reaction-BSSE I1	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2371.57317445; Eh
	18-Jul-2018	I3_TpAg(N2CHCO2Et)	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g; lanl2dz*	-4637.93935649; Eh
	18-Jul-2018	THF	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g*	-232.278247223; Eh
	24-Jan-2019	/Migratory_Insertion 4(endo)	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2095.7364454; Eh
	9-Nov-2018	/vacuum/complexes pcl3mosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2986.40150349; Eh
	11-Apr-2021	/N_sulfonylguanidine cn-ptol-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-689.306958514; Eh
	18-Jul-2018	N2CHCO2Et	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g*	-415.673385500; Eh

Results 21-30 of 12842 (Search time: 0.004 seconds).