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

Search

previous
1
...
943
944
945
946
947
948
949
...
1285
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 ch3sch3-Ts-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1373.11665105; Eh
	30-Sep-2021	/Water/TS_water ch3f-Ts-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-1034.87437420; Eh
	30-Sep-2021	/Water/TS_water ch3oh-Ts-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1010.81760042; Eh
	30-Sep-2021	/Water/TS_water ch3nch33-Ts-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1109.37547420; Eh
	30-Sep-2021	/Water/TS_water ch3Ts-nh2-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-990.895904869; Eh
	30-Sep-2021	/Water/TS_water ch3cf3-Ts-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1272.68621135; Eh
	30-Sep-2021	/Water/TS_water ch3cn-Ts-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1027.83117527; Eh
	30-Sep-2021	/Water/TS_water ch3Ts-Ts-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1829.97082764; Eh
	30-Sep-2021	/Water/TS_water ch3hcooo-sch2ch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-781.854622399; Eh
	30-Sep-2021	/Water/TS_water ch3hcooo-cl-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-764.655069023; Eh

Results 9451-9460 of 12842 (Search time: 0.007 seconds).