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

Search

previous
1
...
149
150
151
152
153
154
155
...
171
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S7 S7	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-531.251341161; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_H_Cpstar_II_III TS_H_Cpstar_II_III_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1204.0187228; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/VII VII_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1728.1343177; Eh
	11-Feb-2022	/Pathway_c4c5_cat Int3	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-4796.27945877; Eh
	11-Feb-2022	/Pathway_c4c5_cat TS1	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-4796.24961430; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S1 S1_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-760.0411733; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S16 S16	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1301.20511591; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1a 1a	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-475.921462222; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS14_S15 TSS14-S15_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-984.1089135; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S16 S16_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1301.4476148; Eh

Results 1511-1520 of 1702 (Search time: 0.003 seconds).