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

Search

previous
1
...
6248
6249
6250
6251
6252
6253
6254
...
10448
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Jul-2022	/solvation sol-on-Cu(100)-p(3x3)-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-329.31664480; eV
	10-Jul-2022	/frequencies frq-OD-Cu-297-CH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-1886.17278137; eV
	10-Jul-2022	/frequencies frq-OD-Cu-297-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-1890.29505160; eV
	10-Jul-2022	/frequencies frq-OD-Cu-297-O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-1880.77302099; eV
	3-Mar-2022	c100_surf-peroxo-cov_075-pt_ads-xps-o33	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-535.37746482; eV
	10-Jul-2022	/solvation sol-off-Cu(100)-p(3x3)-H2O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-327.87804615; eV
	10-Jul-2022	/solvation sol-on-Cu(100)-p(3x3)-CH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-325.55386475; eV
	10-Jul-2022	/frequencies frq-OD-Cu-297-HCO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-1902.12459105; eV
	3-Mar-2022	b110_surf-peroxo-cov_100-pt_ads-xps-icorelvl0	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-599.60497701; eV
	3-Mar-2022	c100_surf-peroxo-cov_100-geo_opt-xps-icorelvl0	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-398.57851329; eV

Results 62501-62510 of 104471 (Search time: 0.037 seconds).