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

Search

previous
1
...
1213
1214
1215
1216
1217
1218
1219
...
10408
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Jan-2022	/Starting_Materials/opt Psyn	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-809.082415971; Eh
	30-Sep-2021	/Water/TS_water ch3f-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-151.327314453; Eh
	2-Aug-2018	MDsnap_trimer1_1780	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.95399700; eV
	8-May-2017	Cu-4-17	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex	Improved Dimer Method	-	-	-160.67975001; eV
	8-May-2017	Pd-4-43	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-276.31621933; eV
	8-May-2017	Pd-8-03	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Improved Dimer Method	-	-	-263.18819689; eV
	8-May-2017	Pt-4-04	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-325.08312078; eV
	8-May-2017	Pt-3-03	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-329.38838472; eV
	8-May-2017	Pt-4-28	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-324.53286354; eV
	8-May-2017	Pd-2-17	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-283.82461142; eV

Results 12151-12160 of 104079 (Search time: 0.009 seconds).