ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
23
24
25
26
27
28
29
...
37
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Oct-2021	44rd	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.16569674; eV
	21-Oct-2021	21r	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.14836754; eV
	21-Oct-2021	12r	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-159.20486145; eV
	21-Oct-2021	Glu_tridentate	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-384.85621940; eV
	21-Oct-2021	Glu_bidentate-3	Mates Torres, Eric	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 23:55:50) complex	Geometry optimization	DFT	-	-384.52098377; eV
	21-Oct-2021	Bulk	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex	Geometry optimization	DFT	-	-43.64842110; eV
	21-Oct-2021	Surface	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex	Geometry optimization	DFT	-	-75.64851158; eV
	17-Apr-2020	/Intermediates CO_intermediate	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-338.63318540; eV
	17-Apr-2020	/Surfaces 111_facet	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-91.85692232; eV
	17-Apr-2020	/Surfaces 311_facet	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-111.73956598; eV

Results 251-260 of 370 (Search time: 0.002 seconds).