ioChem-BD Browse - Universitat Rovira i Virgili: Search

Search

previous
1
...
128
129
130
131
132
133
134
...
284
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/SF/SF_sp ts_f_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-919.880074; Eh
	17-Jul-2025	/Pt4-Al2O3 Pt4-Al2O3-C3H8-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1262.59432404; eV
	1-Mar-2024	/Metal_structures/Ni_structures Ni19-25	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-59.68441177; eV
	1-Mar-2024	/Metal_structures/Ni_structures Ni19-m15	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-59.91405593; eV
	1-Mar-2024	/Metal_structures/Ni_structures Ni14-m20	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-33.94330929; eV
	1-Mar-2024	/Metal_structures/Ni_structures Ni14-m10	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-45.44103350; eV
	1-Mar-2024	/Metal_structures/Cu_structures Cu-bulk-10	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-14.75103038; eV
	1-Mar-2024	/Metal_structures/Ni_structures Ni19-m5	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-69.50443607; eV
	1-Mar-2024	/Metal_structures/Ni_structures Ni38-m5	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-150.26414505; eV
	1-Mar-2024	/Metal_structures/Ni_structures Ni38	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-166.36290380; eV

Results 1301-1310 of 2835 (Search time: 0.0 seconds).