ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
23
24
25
26
27
28
29
...
259
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Feb-2018	Pt_TS-2Hto3H	Project, POROUSforAPP	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-679.59852384; eV
	22-Feb-2018	Pd_3C	Project, POROUSforAPP	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-626.83425572; eV
	22-Feb-2018	Pt_2H	Project, POROUSforAPP	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-680.27963029; eV
	22-Feb-2018	Pt_TS-3Hto3HH	Project, POROUSforAPP	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-680.18534472; eV
	22-Feb-2018	Pd_3HH	Project, POROUSforAPP	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-626.41030346; eV
	22-Feb-2018	Pd_2HH	Project, POROUSforAPP	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-625.86566283; eV
	22-Feb-2018	Pt_2HH	Project, POROUSforAPP	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-680.04879647; eV
	22-Feb-2018	Pt_3HH	Project, POROUSforAPP	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-680.66827222; eV
	22-Feb-2018	Pd_4H	Project, POROUSforAPP	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-627.51227416; eV
	25-Feb-2021	/Coverage_Analysis/OH 1_OH	Brennan, Kevin	vasp; 5.4.1; 24Jun15 (build Jul 04 2019 18:22:08) complex	Geometry optimization	DFT	-	-62.17438558; eV

Results 251-260 of 2587 (Search time: 0.001 seconds).