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

Search

previous
1
...
980
981
982
983
984
985
986
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/DCM/adducts_DCM/add_ch3oTs ch3oTs-cn_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1027.85023512; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3sch3 ch3sch3-c6h5_6311+Gd_ch2cl2_1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-709.820696104; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3sch3 ch3sch3-nch33_6311+Gd_ch2cl2_1sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-652.599615169; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3sch3 ch3sch3-oTs_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1373.17672930; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3sch3 ch3sch3-och2ch3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-632.638441207; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3sch3 ch3sch3-sch2ch3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-955.650807807; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cn ch3cn-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-571.060556056; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cn ch3cn_sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-531.752017646; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cn ch3cn_f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-232.822345517; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3sch3 ch3sch3-nhcho_6311+Gd_ch2cl2_1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-

Results 9821-9830 of 12842 (Search time: 0.009 seconds).