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

Search

previous
1
...
3319
3320
3321
3322
3323
3324
3325
...
10452
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jun-2017	Ag-2221	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-163.41116346; eV
	26-Aug-2024	geom7_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-764.3521628; Eh
	16-Jan-2026	/FG_dataset/group2/ni/111 ni-4a11-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-331.79406085; eV
	14-May-2026	/MXene_paper/Ti3C2O2_calculations/3_Ti_vac/Au/NoH NoH	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-505.37895224; eV
	28-Nov-2017	ss-PdNi-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-254.32026458; eV
	21-Jun-2017	Os-2611	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-566.34081153; eV
	21-Jun-2017	Cu-1211	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-193.92201844; eV
	21-Jun-2017	Cu-1111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-190.05978480; eV
	21-Jun-2017	Cu-1112	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-189.73696818; eV
	21-Jun-2017	Cu-1212	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-193.48482048; eV

Results 33211-33220 of 104515 (Search time: 0.021 seconds).