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Browsing by Author Cooksy, Andrew

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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
1-Apr-2023	co-pc-Im_+1_1_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	RM06	GEN	-3275.45625272; Eh
1-Apr-2023	co-pc-Im_+1_3_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	UM06	GEN	-3275.46738720; Eh
1-Apr-2023	co-pc-Im_+2_2_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	UM06	GEN	-3275.23794148; Eh
1-Apr-2023	co-pc-Im_+2_2_pcm_nbo_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	UM06	GEN	-3275.2602101; Eh
1-Apr-2023	co-pc-Im_CO2_+1_3_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	UM06	GEN	-3464.06023457; Eh
1-Apr-2023	co-pc-Im_CO2_+1_3_pcm_nbo_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	UM06	GEN	-3464.0602346; Eh
1-Apr-2023	co-pc-Im_CO_+2_2_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	UM06	GEN	-3388.58938765; Eh
1-Apr-2023	co-pc-Im_CO_+2_2_pcm_nbo_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	UM06	GEN	-3388.5893877; Eh
1-Apr-2023	co-pc-Im_HOCO_+2_1_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	RM06	GEN	-3464.40207463; Eh
1-Apr-2023	co-pc-Im_HOCO_+2_1_pcm_nbo_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	RM06	GEN	-3464.4020746; Eh
1-Apr-2023	co-pc-Py_+1_1_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Minimum	RM06	GEN	-3297.48337469; Eh
1-Apr-2023	co-pc-Py_+1_3_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Minimum	UM06	GEN	-3297.49912502; Eh
1-Apr-2023	co-pc-Py_+2_2_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	UM06	GEN	-3297.29090705; Eh
1-Apr-2023	co-pc-Py_+2_2_pcm_nbo_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	UM06	GEN	-3297.2650078; Eh
1-Apr-2023	co-pc-Py_CO2_+1_3_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	UM06	GEN	-3486.09139250; Eh
1-Apr-2023	co-pc-Py_CO2_+1_3_pcm_nbo_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	UM06	GEN	-3486.0913925; Eh
1-Apr-2023	co-pc-Py_CO_+2_2_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	UM06	GEN	-3410.59908474; Eh
1-Apr-2023	co-pc-Py_CO_+2_2_pcm_nbo_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	UM06	GEN	-3410.5729797; Eh
1-Apr-2023	co-pc-Py_HOCO_+2_1_pcm_f_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	RM06	GEN	-3486.43087002; Eh
1-Apr-2023	co-pc-Py_HOCO_+2_1_pcm_nbo_m6_pc2	Cooksy, Andrew	Gaussian; 16; EM64L-G16RevB.01	Single point Structure	RM06	GEN	-3486.43087; Eh

Showing results 1 to 20 of 131 next >