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

Search

previous
1
...
2
3
4
5
6
7
8
...
219
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/TS_water ch3ooh-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-202.435943096; Eh
	30-Sep-2021	/Water/TS_water ch3nch33-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-225.831312756; Eh
	30-Sep-2021	/Water/TS_water ch3nhcho-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-220.775429731; Eh
	30-Sep-2021	/Water/TS_water ch3sch2ch3-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-528.897232919; Eh
	30-Sep-2021	/Water/TS_water ch3och2ch3-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-205.906285440; Eh
	30-Sep-2021	/Water/TS_water ch3cf3-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-389.142715950; Eh
	30-Sep-2021	/Water/TS_water ch3c6h5-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-283.065171786; Eh
	30-Sep-2021	/Water/TS_water ch3i-Ts-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-946.415609832; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-393.981617171; Eh
	30-Sep-2021	/Water/TS_water ch3hcooo-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-315.821057939; Eh

Results 41-50 of 2188 (Search time: 0.003 seconds).