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

Search

previous
1
...
271
272
273
274
275
276
277
...
10393
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jul-2020	AC_BrCH2-Pt-Br-H-Hsc	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-708.90488803; eV
	17-Oct-2017	/Solvation/eg 2_methoyxphenol	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-105.93879468; eV
	17-Oct-2017	/Solvation/h2o G4	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	-	-	-154.47195922; eV
	17-Oct-2017	/Solvation/eg G2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-154.05264712; eV
	17-Oct-2017	/Solvation/eg G1	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-154.09067968; eV
	17-Oct-2017	/Solvation/h2o 2_methoyxphenol	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-106.12049978; eV
	17-Oct-2017	/Solvation/h2o G3	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	N/A	-	-	-161.52120731; eV
	17-Oct-2017	/Solvation/eg G10	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	N/A	-	-	-155.72038572; eV
	12-Feb-2019	sa-IrAu-2315	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-438.03166037; eV
	28-Nov-2017	ol-RhPt-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-333.78014571; eV

Results 2731-2740 of 103928 (Search time: 0.005 seconds).