ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
4
5
6
7
8
9
10
...
429
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Sep-2019	3_ads-t_t_t-2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-438.70222910; eV
	10-Sep-2019	4_ads-t_t_t_m-1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-511.07515642; eV
	10-Sep-2019	4_ads-m_m_m_m-3	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-509.31580351; eV
	10-Sep-2019	4_ads-m_m_m_m-1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jul 8 2016 11:28:16) complex	Geometry optimization	DFT	-	-510.31680976; eV
	10-Sep-2019	4_ads-b_b_t_m-1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-511.41243273; eV
	10-Sep-2019	4_ads-b_b_b_b-2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-510.77235853; eV
	10-Sep-2019	5_ads-m-2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-580.14607558; eV
	10-Sep-2019	5_ads-m-1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-579.10438519; eV
	10-Sep-2019	4_ads-b_t_t_m-1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-511.20150875; 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

Results 61-70 of 4289 (Search time: 0.001 seconds).