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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Zn/0001 CH2_2	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/Os/0001 2414-2315	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/amidines/ru/0001 ru-38Z5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-497.84955750; eV
	24-Apr-2020	pristine_BN_tri-dis	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-3727.95951756; eV
	19-Mar-2026	/PTaW P00Ta01W01O07-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.21413924; Eh
	19-Mar-2026	/AsW As01W09O34-3H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-14.69167640; Eh
	11-Sep-2023	/intermediates-electric-field Cu(111)-6x6-Cu(dmphen)-E-p03	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-890.99001643; eV
	11-Sep-2023	/intermediates-electric-field Cu(111)-6x6-dmphen-E-p01	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-891.06239212; eV
	11-Sep-2023	/intermediates-electric-field Cu(111)-6x6-dmphen-E-p03	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-891.34005731; eV
	11-Sep-2023	/intermediates-electric-field Cu(111)-6x6-dmphen-E-00	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-891.11106998; eV

Results 27511-27520 of 103542 (Search time: 0.016 seconds).