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

Search

previous
1
...
1373
1374
1375
1376
1377
1378
1379
...
1539
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-May-2026	/O15/Pt/topti topti	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-558.01726632; eV
	14-May-2026	/O15/Pd/topm topm	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-557.14507627; eV
	14-May-2026	/O15/Rh/topo topo	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-558.94801268; eV
	14-May-2026	/O15/Pt/topm topm	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-558.59581291; eV
	14-May-2026	/O15/Pt/topo topo	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-557.72043971; eV
	14-May-2026	/O15/Rh/hollowti hollowti	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-559.90539251; eV
	14-May-2026	/O15/nometal/NoH NoH	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-545.50406882; eV
	14-May-2026	/O15/Rh/NoH NoH	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-555.29032333; eV
	14-May-2026	/O15/nometal/topti topti	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-549.28590977; eV
	14-May-2026	/O15/Rh/topti topti	George, Gibu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-559.57341018; eV

Results 13751-13760 of 15386 (Search time: 0.009 seconds).