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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Sep-2019	2_ads-b_t-2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-365.40817010; eV
	10-Sep-2019	2_ads-b_b-3	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-364.88258417; eV
	10-Sep-2019	1_ads-t-5	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-291.82190151; eV
	10-Sep-2019	1_ads-t-3	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-291.95438441; eV
	10-Sep-2019	1_ads-m-3	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 30 2015 22:17:36) complex	Geometry optimization	DFT	-	-290.68099774; eV
	9-Apr-2021	/CeO2 HF_CeO2	Schäfer, Tobias	vasp; 6.0.8; 29Jun18 (build Feb 12 2019 18:48:11) complex	Single point	DFT	-	-58.63391127; eV
	10-Sep-2019	Cysteine_molecule	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Dec 20 2017 10:32:10) gamma-only	Geometry optimization	DFT	-	-73.42876860; eV
	10-Sep-2019	1_ads-b-3	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 30 2015 22:17:36) complex	Geometry optimization	DFT	-	-291.38489131; eV
	10-Sep-2019	1_ads-b-2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-291.40395596; eV
	10-Sep-2019	1_ads-b-1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 30 2015 22:17:36) complex	Geometry optimization	DFT	-	-291.47929367; eV

Results 91-100 of 4289 (Search time: 0.001 seconds).