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

Search

previous
1
...
210
211
212
213
214
215
216
...
10408
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2017	/Adsorption/niru/7x4 G1_3	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-590.36493821; eV
	17-Oct-2017	/Adsorption/niru/7x4 G6_1	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-595.66643908; eV
	17-Oct-2017	/Adsorption/niru/7x4 G4_2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-588.20060257; eV
	17-Oct-2017	/Adsorption/niru/7x4 B_2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.17371422; eV
	17-Oct-2017	/Adsorption/niru/7x4 B_4	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.38702429; eV
	17-Oct-2017	/Adsorption/ru/3x3/h2o h2o	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-331.86812704; eV
	26-Oct-2017	/THF Phrad	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-231.634164717; Eh
	8-Nov-2018	/water/complexes aq-sime3znch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-676.3543454; Eh
	17-Oct-2017	/Adsorption/niru/7x4 G2_1	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-588.34715651; eV
	17-Oct-2017	/Adsorption/niru/7x4 G6_2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-596.03883428; eV

Results 2121-2130 of 104079 (Search time: 0.004 seconds).