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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Jan-2026	pt_constant_potential_o_3_1_006	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-90.59145814; eV
	19-Jan-2026	pt_constant_potential_o_3_0_996	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-75.27434230; eV
	19-Jan-2026	pt_constant_potential_o_3_0_998	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-78.91570800; eV
	19-Jan-2026	pt_constant_potential_o_4_dipole	Brennan-Pollak, Conor	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Geometry optimization	DFT	-	-86.32353513; eV
	19-Jan-2026	pt_constant_potential_o_3_freq	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-82.30033167; eV
	19-Jan-2026	pt_constant_potential_o_3	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-82.30368040; eV
	27-Mar-2025	nicosulfuron_CONF124_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1760.65514761; Eh
	27-Mar-2025	nicosulfuron_CONF129_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1760.65511714; Eh
	27-Mar-2025	nicosulfuron_CONF125_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1760.65511386; Eh
	22-May-2025	/75 75_PhI_add1	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	DEF2SVP DEF2TZVPP	-1327.2857326; Eh

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