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

Search

previous
1
...
945
946
947
948
949
950
951
...
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 ch3cn-f-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-
	30-Sep-2021	/DCM/TS_DCM ch3hcooo-sch2h3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-781.844719319; Eh
	30-Sep-2021	/DCM/TS_DCM ch3hcooo-br-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-317.588635598; Eh
	30-Sep-2021	/DCM/TS_DCM ch3cf3-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-389.139351145; Eh
	30-Sep-2021	/DCM/TS_DCM ch3cf3-oh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-453.544076864; Eh
	30-Sep-2021	/DCM/TS_DCM ch3cn-oh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-208.679089873; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-och3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D)	-309.646544445; Eh
	30-Sep-2021	/Water/TS_water ch3nhcho-och2ch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-
	30-Sep-2021	/DCM/TS_DCM ch3cn-cl-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-
	30-Sep-2021	/Water/TS_water ch3nhcho-och2ch3-ts_6311+Gd-3	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D)	-

Results 9471-9480 of 12842 (Search time: 0.007 seconds).