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

Search

previous
1
...
152
153
154
155
156
157
158
...
171
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Feb-2022	/Pathway_c4c5_nocat Int6A	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-3226.22893903; Eh
	11-Feb-2022	/Pathway_c4c5_nocat TS6A	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-3226.22126574; Eh
	11-Feb-2022	/Pathway_c4c5_nocat C1	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-651.985868487; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1_NO2 1_NO2	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-680.345805757; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/III_F_Cpstar III_F_Cpstar	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1302.98124593; Eh
	11-Feb-2022	/Pathway_c4c5_nocat Int2A	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-3226.23377729; Eh
	11-Feb-2022	/Pathway_c4c5_nocat Int5A	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-3226.25086535; Eh
	11-Feb-2022	/Pathway_c4c5_nocat Int4A	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-3226.25162468; Eh
	11-Feb-2022	/Pathway_c4c5_nocat Int3A	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-651.954008438; Eh
	11-Feb-2022	/Pathway_c4c5_nocat TS3A	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-3226.21160870; Eh

Results 1541-1550 of 1702 (Search time: 0.003 seconds).