ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
1218
1219
1220
1221
1222
1223
1224
...
1236
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-May-2021	A	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G(D) GENECP	-1125.34282948; Eh
	11-May-2021	3B_bis	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	6-31+G(D) GENECP	-1283.15498635; Eh
	11-May-2021	3C_	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	6-31+G(D) GENECP	-1283.15625622; Eh
	11-May-2021	3B	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	6-31+G(D) GENECP	-1275.56054450; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-oh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-554.034907280; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-877.016699515; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-916.323863456; Eh
	11-May-2021	TS-osC_-E_	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UM06	6-31+G(D) GENECP	-1283.15426108; Eh
	11-May-2021	3B_	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	6-31+G(D) GENECP	-1283.15747240; Eh
	11-May-2021	B_	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G(D) GENECP	-1283.15473776; Eh

Results 12201-12210 of 12354 (Search time: 0.011 seconds).