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

Search

previous
1
...
3001
3002
3003
3004
3005
3006
3007
...
10452
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Ir/100 C4H10S_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-475.50814249; eV
	25-Jun-2024	/Intermediates/Os/0001 CH3O_3	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/group2/os/0001 os-4a13-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-599.75614902; eV
	25-Jun-2024	/Intermediates/Pd/100 C3H8O_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-301.31413120; eV
	19-Mar-2026	/PTaW P01Ta03W06O34-1H-iso-51	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-15.09396088; Eh
	19-Mar-2026	/Nb Nb03O10-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-4.66671941; Eh
	16-Jan-2026	/FG_dataset/amidines/ni/111 ni-4aZ9-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-341.88266708; eV
	16-Jan-2026	/FG_dataset/group2/os/0001 os-4a14-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-599.83422107; eV
	25-Jun-2024	/Intermediates/Pt/100 C4H8	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-343.08933797; eV
	19-Mar-2026	/Nb Nb06O19-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-8.99111772; Eh

Results 30031-30040 of 104512 (Search time: 0.017 seconds).