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

Search

previous
1
...
764
765
766
767
768
769
770
...
1327
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_ch3nh2 ch3nh2-cn_6311+Gd_ch2cl2-feq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-
	30-Sep-2021	/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-nhcho_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-363.862456842; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nh2 ch3nh2-Ts_6311+Gd_ch2cl2-1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-990.999414098; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-i_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-205.978123804; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nh2 ch3nh2-f_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-
	30-Sep-2021	/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-och2ch3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-426.214967546; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-sh_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-670.591320151; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-i_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-283.214395220; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nch33 ch3nch33-cn_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-307.308116150; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nch33 ch3nch33-sch2ch3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-691.906708959; Eh

Results 7661-7670 of 13266 (Search time: 0.006 seconds).