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

Search

previous
1
...
3083
3084
3085
3086
3087
3088
3089
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Nov-2021	/In2M2O4 In₂Au₂O₄	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1080.97731480; eV
	29-Nov-2021	/Adatoms/Three-fold Au-1-2-1	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1096.03601688; eV
	29-Nov-2021	/Adatoms/Three-fold Ru-2-3-4	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1100.21032634; eV
	29-Nov-2021	/Adatoms/Three-fold Rh-1-2-3	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1098.93148884; eV
	29-Nov-2021	/Adatoms/Three-fold Ir-1-2-1	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1100.16540720; eV
	29-Nov-2021	/Adatoms/Three-fold Ni-1-1-1	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1098.93369202; eV
	29-Nov-2021	/Adatoms/Top Co-7	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1099.87207956; eV
	29-Nov-2021	/Adatoms/Top Co-6	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1100.18721349; eV
	29-Nov-2021	/Adatoms/Top Ru-4	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1100.08892333; eV
	29-Nov-2021	/Adatoms/Top Ni-5	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1097.78488432; eV

Results 30851-30860 of 103542 (Search time: 0.041 seconds).