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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Oct-2021	SiW10-mono-Open1	Mateo, Ana	ADF; 2017	Geometry optimization	BP86	TZP	-
	21-Oct-2021	SiW10-Reactant	Mateo, Ana	ADF; 2017	Geometry optimization	BP86	TZP	-
	21-Oct-2021	Me-COOH	Mateo, Ana	ADF; 2017	Geometry optimization	BP86	TZP	-
	7-Feb-2022	/energy-references gas-C12H8N2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-154.01890333; eV
	7-Feb-2022	/energy-references gas-CO2	Dattila, Federico	vasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complex	Geometry optimization	DFT	-	-22.96215586; eV
	25-Jun-2024	/Intermediates/Pt/100 C4H10N2_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-368.14661630; eV
	29-Jul-2021	i241102+i121101-i362201+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-185.86841925; eV
	29-Jul-2021	i241102+i131102-i372201+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-189.19339518; eV
	29-Jul-2021	i241102+i100101-i341108+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-171.83468954; eV
	4-Sep-2023	TSD1-4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-908.901172078; Eh

Results 62781-62790 of 104471 (Search time: 0.039 seconds).