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

Search

previous
1
...
105
106
107
108
109
110
111
...
10408
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-May-2017	Pt-CS-TS-H3COH-H2COH_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-312.79938135; eV
	10-May-2017	Ru-S2W-H3COH_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-483.73609075; eV
	10-May-2017	Pt-CS-bare_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-282.75559802; eV
	10-May-2017	Ru-S2W-TS-H3COH-H2COH_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Improved Dimer Method	-	-	-483.21454623; eV
	10-May-2017	Ru-S2W-H2COH_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-485.16617243; eV
	10-May-2017	Ru-S2W-H3CO_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-485.31901934; eV
	10-May-2017	Ru-S2W-H2CO_(solvated)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-485.30092027; eV
	10-May-2017	Ru-S2W-H2O_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-468.19901601; eV
	10-May-2017	Ru-S2W-H2COH_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-483.89714325; eV
	10-May-2017	Ru-S2W-H3CO_(vacuum)	Garcia-Ratés, Miquel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-484.43531140; eV

Results 1071-1080 of 104079 (Search time: 0.004 seconds).