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

Search

previous
1
...
1913
1914
1915
1916
1917
1918
1919
...
10451
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Feb-2019	sa-RhIr-2322	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-378.12948398; eV
	2-Aug-2018	MDsnap_trimer2_1760	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.28728286; eV
	3-Nov-2017	Pd-atom_TS1	Fako, Edvin	vasp; 5.4.4; 37Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	-	-	-76.70284968; eV
	12-Feb-2019	sa-RhCo-2223	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-372.26992151; eV
	12-Feb-2019	sa-RhZn-2402	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-361.69143386; eV
	27-Oct-2017	/DFT/Water TS3_3_1	Bandeira, Nuno	ADF; 2016	TS	DFT	TZP; DZP	-46.26625739; Eh
	29-Feb-2016	FCb-trans-trans-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2464.25798761; Eh
	23-Aug-2018	/solvation/no_solv methyl_but_ol+4h	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-97.05949283; eV
	12-Feb-2019	sa-RuCo-1212	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-443.90052687; eV
	12-Feb-2019	sa-RhCo-1411	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-363.91933105; eV

Results 19151-19160 of 104510 (Search time: 0.512 seconds).