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

Search

previous
1
...
9394
9395
9396
9397
9398
9399
9400
...
9415
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Jul-2025	/surf/slab_100/corr/CO CO	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-526.62280317; eV
	2-Jul-2025	/surf/slab_001 slab_001	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-511.76036574; eV
	2-Jul-2025	/surf/slab_100 slab_100	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-511.76036527; eV
	2-Jul-2025	/Defects_222/vpea/V_PEA__1 V_PEA__1	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-4093.20534682; eV
	2-Jul-2025	/Defects_222/vsn/V_Sn+2 V_Sn+2	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-4213.90980236; eV
	2-Jul-2025	/Defects_222/vpea/V_PEA_+1 V_PEA_+1	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-4093.32321321; eV
	2-Jul-2025	/Defects_222/vsn/V_Sn_1 V_Sn_1	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-4216.12526704; eV
	2-Jul-2025	/Defects_222/vsn/V_Sn_2 V_Sn_2	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-4215.41299192; eV
	2-Jul-2025	/Defects_222/vsn/vsn_vpea vsn_vpea	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-
	2-Jul-2025	/Defects_222/vsn vsn	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-4214.54911442; eV

Results 93961-93970 of 94148 (Search time: 0.059 seconds).