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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Sep-2025	/References/HSE-13_D3 na	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-0.27180344; eV
	8-Aug-2025	Quinoxailine-axial_comple-methylene_down	Ballester, Pablo	TURBOMOLE; 7	Geometry optimization	DFT	def2-SVP	-4139.977828341; Eh
	8-Aug-2025	Quinoxaline_equatorial_complex-methylene_down	Ballester, Pablo	TURBOMOLE; 7	Geometry optimization	DFT	def2-SVP	-4139.932357706; Eh
	8-Aug-2025	Equatorial_ISOMER	Ballester, Pablo	TURBOMOLE; 7	Geometry optimization	DFT	def2-SVP	-3862.836290331; Eh
	8-Aug-2025	Axial_ISOMER	Ballester, Pablo	TURBOMOLE; 7	Geometry optimization	DFT	def2-SVP	-3862.849983754; Eh
	8-Aug-2025	Complex_DABCO	Ballester, Pablo	TURBOMOLE; 7	Geometry optimization	DFT	def2-SVP	-5151.430752756; Eh
	8-Aug-2025	TS	Ballester, Pablo	TURBOMOLE; 7	Geometry optimization TS	DFT	def-SV(P)	-4139.275243503; Eh
	13-Oct-2025	/Co/100/adsorption/CH2 opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-496.41784071; eV
	13-Oct-2025	/Co/100/adsorption/CH opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-493.14711523; eV
	13-Oct-2025	/Co/100/adsorption/C opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-489.81518393; eV

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