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

Search

previous
1
...
972
973
974
975
976
977
978
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/TS_water ch3nch33-och3-ts_6311+Gd180	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-329.552058059; Eh
	30-Sep-2021	/Water/TS_water ch3nch33-cn-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-307.256971246; Eh
	30-Sep-2021	/DCM/EG_LG_DCM sch2ch3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-477.581868695; Eh
	30-Sep-2021	/DCM/EG_LG_DCM oTs_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-895.105856459; Eh
	30-Sep-2021	/DCM/EG_LG_DCM ash2_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-2237.16999592; Eh
	30-Sep-2021	/DCM/EG_LG_DCM ooh_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-151.091060681; Eh
	30-Sep-2021	/DCM/EG_LG_DCM hse_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-2402.29010061; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cf3 ch3cf3-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-532.289917626; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cf3 ch3cf3-sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-855.275121971; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cf3 ch3cf3-nch33_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-552.218517792; Eh

Results 9741-9750 of 12842 (Search time: 0.017 seconds).