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

Search

previous
1
...
2486
2487
2488
2489
2490
2491
2492
...
10460
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-May-2022	/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-Pd-COCH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-352.84563610; eV
	1-Sep-2023	HFIPanion1	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-789.3500988; Eh
	21-Jun-2017	Ni-2302	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-280.10106721; eV
	21-Jun-2017	Ni-2101	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-272.52373888; eV
	21-Jun-2017	Ni-1311	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-278.23736482; eV
	21-Jun-2017	Ni-2201	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-276.42327485; eV
	21-Jun-2017	Ni-2001	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-268.05670855; eV
	21-Jun-2017	Ni-1312	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-277.67304031; eV
	21-Jun-2017	Ni-1411	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-281.68793779; eV
	21-Jun-2017	Ni-2202	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-276.42014342; eV

Results 24881-24890 of 104592 (Search time: 0.016 seconds).