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

Search

previous
1
...
1156
1157
1158
1159
1160
1161
1162
...
10460
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Aug-2018	MDsnap_dimer2_2740	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.07188071; eV
	2-Aug-2018	MDsnap_dimer2_2680	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.02520056; eV
	2-Aug-2018	MDsnap_dimer2_2720	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.66602053; eV
	2-Aug-2018	MDsnap_dimer2_2700	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.22957687; eV
	2-Aug-2018	MDsnap_dimer2_2520	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2217.39837455; eV
	2-Aug-2018	MDsnap_dimer2_2540	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.48664159; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(29,30)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.30479876; eV
	27-Feb-2018	Na-Br-C5-0THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2609.08184909; Eh
	27-Feb-2018	K-Br-C4-3THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-3133.01227478; Eh
	27-Feb-2018	K-Br-C6-3THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-3211.78063667; Eh

Results 11581-11590 of 104593 (Search time: 0.008 seconds).