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

Search

previous
1
...
759
760
761
762
763
764
765
...
1327
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-May-2019	TS3noa	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB3LYP	-	-2680.36315637; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cn ch3cn-sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-610.388097854; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3sch3 ch3sch3-f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-578.084881540; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cf3 ch3cf3_f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-477.710062052; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3sch3 ch3sch3-i_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-489.638131010; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3sch3 ch3sch3-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-877.014753544; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3sch3 ch3sch3-cf3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-815.897487317; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3sch3 ch3sch3-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-593.306854827; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nh2 ch3nh2-c6h5_6311+Gd_ch2cl21	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D)	-327.641533621; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3sch3 ch3sch3-br_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-491.410098938; Eh

Results 7611-7620 of 13266 (Search time: 0.007 seconds).