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

Search

previous
1
...
663
664
665
666
667
668
669
...
1535
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 ch3c6h5-i-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-283.065212561; Eh
	30-Sep-2021	/DCM/TS_DCM ch3c6h5-sh-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-670.468968509; Eh
	30-Sep-2021	/DCM/TS_DCM ch3c6h5-f-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-371.532920311; Eh
	30-Sep-2021	/DCM/TS_DCM ch3c6h5-cl-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-731.902581805; Eh
	27-Jun-2023	Z-D2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1364.58401739; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ash2-i-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-2288.48505206; Eh
	1-Oct-2021	tfmvsCOO_am	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP DEF2SVP GEN	-1023.54063123; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ash2-br-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-2290.27024259; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ash2-cf3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2614.77529298; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ash2-oh-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2352.87921784; Eh

Results 6651-6660 of 15345 (Search time: 0.005 seconds).