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

Search

previous
1
...
988
989
990
991
992
993
994
...
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/TS_DCM ch3c6h5-nch33-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-446.054073064; Eh
	30-Sep-2021	/DCM/TS_DCM ch3c6h5-nh2-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-327.575443791; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ash2-nhcho-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2446.39230165; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ash2-sch3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2715.19989622; Eh
	30-Sep-2021	/Water/TS_water ch3c6h5-sh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-670.465399720; Eh
	30-Sep-2021	/DCM/TS_DCM ch3c6h5-cf3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-609.369636178; Eh
	30-Sep-2021	/DCM/TS_DCM ch3c6h5-cn-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-364.501820444; Eh
	30-Sep-2021	/DCM/TS_DCM ch3nch33-och2ch3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-368.877008137; Eh
	30-Sep-2021	/DCM/TS_DCM ch3nch33-i-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-225.836956261; Eh
	30-Sep-2021	/DCM/TS_DCM ch3nch33-nh2-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-270.332695099; Eh

Results 9901-9910 of 12842 (Search time: 0.008 seconds).