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

Search

previous
1
...
3054
3055
3056
3057
3058
3059
3060
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Jul-2023	pristine-3xN6-Ni-4xN6-4.65_04	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1967.18365717; eV
	1-Jul-2023	pristine-3xN6-Ni-4xN6-4.97_05	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1967.15266062; eV
	26-Aug-2024	geom77_nox2_w10_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G(D)	-1411.37298941; Eh
	28-Oct-2022	/N_din6_as_c3_123 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-615.40403422; eV
	4-Jul-2023	/Li2O/111/clean clean	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-316.00151878; eV
	1-Jul-2023	pristine-3xN6-Ni-4xN6-5.81_08	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1971.87070793; eV
	22-Aug-2018	/xps/Co_Cu3 131	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.54706528; eV
	1-Jul-2023	pristine-3xN6-Ni-4xN6-5.54_07	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1967.00946611; eV
	1-Jul-2023	pristine-3xN6-Ni-4xN6-6.06_09	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1966.86864410; eV
	1-Jul-2023	pristine-3xN6-Ni-4xN6-6.31_10	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1966.94253816; eV

Results 30561-30570 of 103542 (Search time: 0.018 seconds).