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

Search

previous
1
...
6914
6915
6916
6917
6918
6919
6920
...
10448
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Aug-2022	/Sampling Pt-4O-oxygen-2ce3-pos_35_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-864.15801702; eV
	30-Jun-2020	i451108	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-186.78176276; eV
	4-Aug-2022	/Sampling Pt-4O-surfvac-1ce3-pos_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-851.08615212; eV
	4-Aug-2022	/Sampling Pt-4O-surfvac-1ce3-pos_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.77820724; eV
	25-Jun-2024	/Intermediates/Rh/110 H2S_4	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Rh/111 2421-2321	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	4-Aug-2022	/Sampling Pt-4O-oxygen-2ce3-pos_32_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-864.15683446; eV
	4-Aug-2022	/Sampling Pt-4O-oxygen-2ce3-pos_32_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-864.15803255; eV
	4-Aug-2022	/Sampling Pt-4O-oxygen-2ce3-pos_33_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-864.15790446; eV
	4-Aug-2022	/Sampling Pt-4O-oxygen-2ce3-pos_32_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-864.15734150; eV

Results 69161-69170 of 104471 (Search time: 0.041 seconds).