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

Search

previous
1
...
2187
2188
2189
2190
2191
2192
2193
...
10451
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2017	Ru-6-17	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-345.10335499; eV
	8-May-2017	Ru-4-19	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Improved Dimer Method	-	-	-352.66412855; eV
	8-May-2017	Ru-33227	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-369.59292345; eV
	8-Nov-2018	/water/complexes aq-heaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1519.2920736; Eh
	23-Aug-2018	/ni4p3_ni5p4/c2h2 3	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-867.26979967; eV
	8-May-2017	Ru-33305	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-376.68179070; eV
	8-May-2017	Pt-1-03	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-335.90653731; eV
	8-May-2017	Ru-31204	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-362.13681906; eV
	23-Aug-2018	/ni4p3_ni5p4/c2h4 16	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-875.55453931; eV
	8-May-2017	Pt-2-29	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-325.48841222; eV

Results 21891-21900 of 104508 (Search time: 0.014 seconds).