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

Search

previous
1
...
779
780
781
782
783
784
785
...
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 ch3sch2ch3-och3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-632.602993711; Eh
	30-Sep-2021	/DCM/TS_DCM ch3sch2ch3-sch3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-955.609106499; Eh
	30-Sep-2021	/DCM/TS_DCM ch3sch2ch3-f-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-617.357282185; Eh
	30-Sep-2021	/DCM/TS_DCM ch3sch2ch3-och2ch3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-671.933507590; Eh
	30-Sep-2021	/DCM/TS_DCM ch3sch2ch3-cn-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-610.322380413; Eh
	30-Sep-2021	/DCM/TS_DCM ch3sch2ch3-cf3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-855.185331034; Eh
	30-Sep-2021	/DCM/TS_DCM ch3cl-och3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-615.394679546; Eh
	30-Sep-2021	/DCM/TS_DCM ch3f-och3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-255.025929919; Eh
	30-Sep-2021	/DCM/TS_DCM ch3sh-cl-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-899.089826558; Eh
	30-Sep-2021	/DCM/TS_DCM ch3och3-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-166.556084259; Eh

Results 7811-7820 of 13266 (Search time: 0.007 seconds).