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

Search

previous
1
...
966
967
968
969
970
971
972
...
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 ch3nhcho-cf3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-547.054068019; Eh
	30-Sep-2021	/DCM/TS_DCM ch3nhcho-cn-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-302.190454687; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ooh-br-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-204.195970933; Eh
	30-Sep-2021	/DCM/TS_DCM ch3nhcho-cl-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-669.597550293; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ooh-nh3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-247.439539389; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ooh-nh2-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-246.914739833; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ooh-i-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-202.408883829; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3f ch3f-ncch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-311+G(D)	-314.332436355; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3f ch3f-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-255.034885465; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3f ch3f-i_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-151.364791414; Eh

Results 9681-9690 of 12842 (Search time: 0.017 seconds).