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

Search

previous
1
...
2930
2931
2932
2933
2934
2935
2936
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Sep-2023	/intermediates-electric-field Cu(711)-6x6-dmphen-E-n02	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-715.10459041; eV
	11-Sep-2023	/intermediates-electric-field Cu(711)-6x6-dmphen-E-n03	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-715.44476993; eV
	25-Jun-2024	/Intermediates/Ir/110 C4H10O_4	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-678.47450042; eV
	25-Jun-2024	/Intermediates/Pt/110 C4H11N	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Ag/110 C4H9N	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/group2/pd/111 pd-4811-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-314.52911667; eV
	19-Mar-2026	/AsW As00W03O10-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-4.28167963; Eh
	19-Mar-2026	/AsW As00W03O09-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.72669550; Eh
	11-Sep-2023	/intermediates-electric-field Cu(111)-6x6-Cu(dmphen)-E-n01	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-891.34698255; eV
	11-Sep-2023	/intermediates-electric-field Cu(111)-6x6-dmphen-E-n01	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-891.28467072; eV

Results 29321-29330 of 103542 (Search time: 0.019 seconds).