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

Search

previous
1
...
780
781
782
783
784
785
786
...
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/TS_DCM ch3br-och3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-168.343317337; Eh
	30-Sep-2021	/DCM/TS_DCM ch3och3-sh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-553.958626119; Eh
	30-Sep-2021	/DCM/TS_DCM ch3f-sh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-538.714840468; Eh
	30-Sep-2021	/DCM/TS_DCM ch3sh-br-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-452.038961785; Eh
	30-Sep-2021	/DCM/TS_DCM ch3sh-och3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-553.958626114; Eh
	30-Sep-2021	/DCM/TS_DCM ch3och3-oh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-230.961054971; Eh
	30-Sep-2021	/DCM/TS_DCM ch3br-sh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-452.038961785; Eh
	30-Sep-2021	/DCM/TS_DCM ch3och3-och3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-270.275281152; Eh
	30-Sep-2021	/DCM/TS_DCM ch3sh-oh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-514.645443240; Eh
	30-Sep-2021	/DCM/TS_DCM ch3seh-och2ch3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2596.62719501; Eh

Results 7821-7830 of 13266 (Search time: 0.006 seconds).