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

Search

previous
1
...
1961
1962
1963
1964
1965
1966
1967
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Nov-2021	/Adatoms/Bridge Pd-1-2	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1098.04858730; eV
	29-Nov-2021	/Adatoms/Bridge Ag-1-2	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1096.78215957; eV
	29-Nov-2021	/Adatoms/Bridge Ni-1-3	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1098.58996204; eV
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-916.323863456; Eh
	11-May-2021	TS-osC_-E_	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UM06	6-31+G(D) GENECP	-1283.15426108; Eh
	5-May-2020	6L-red-CO₂-site-17	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1851.14604594; eV
	6-Aug-2020	/opt/intermediates/Ru/CH3I top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-339.43804806; eV
	6-Aug-2020	/opt/intermediates/Ru/CHCl hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-332.45191278; eV
	6-Aug-2020	/opt/intermediates/Rh/CCl hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-262.34376815; eV
	6-Aug-2020	/opt/intermediates/Ru/CHF hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-333.98052906; eV

Results 19631-19640 of 103542 (Search time: 0.014 seconds).