ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
7
8
9
10
11
12
13
...
429
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Sep-2019	1_ads-b-1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 30 2015 22:17:36) complex	Geometry optimization	DFT	-	-291.47929367; eV
	10-Sep-2019	4_ads-m_t_t_m-2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-510.93311192; eV
	10-Sep-2019	4_ads-b_b_b_m-1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-510.44031379; eV
	10-Sep-2019	3_ads-m_m_m-2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-437.33279111; eV
	10-Sep-2019	3_ads-m_b_t-2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-438.57857353; eV
	10-Sep-2019	3_ads-m_b_b-1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-438.10793895; eV
	10-Sep-2019	3_ads-b_b_b-2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-438.51078038; eV
	5-Jan-2023	AA_Pt4_CH2O	Garcia, Ricardo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:34:00) complex	Geometry optimization	DFT	-	-634.61414291; eV
	5-Jan-2023	AA_Pt4_CH3OH	Garcia, Ricardo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 08:52:35) complex	Geometry optimization	DFT	-	-641.75138893; eV
	10-Sep-2019	2_ads-b_b-2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-364.69222875; eV

Results 91-100 of 4288 (Search time: 0.001 seconds).