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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-May-2025	/cluster_A/protonated PROT-TS2_irc_	Serapian, Stefano A.	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	-	6-31G(D)	-2932.51646721; Eh
	29-Jun-2025	Acrinathrin_CONF118_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2033.58404741; Eh
	19-Jan-2026	au_constant_potential_o_2_1_004	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-38.19951901; eV
	19-Jan-2026	au_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	-	-44.75822044; eV
	19-Jan-2026	au_constant_potential_o_3_dipole	Brennan-Pollak, Conor	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Geometry optimization	DFT	-	-35.49794317; eV
	19-Jan-2026	au_constant_potential_o_2_0_994	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-20.97131872; eV
	19-Jan-2026	au_constant_potential_o_2	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-32.09278125; eV
	27-Jan-2025	/POV_V_III_OH2_cis gas_phase_opt	Duggan, Genevieve	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def2-TZVP	-6685.207253106; Eh
	27-Jan-2025	/POV_V_III_OH2_cis Single_Point_Acetonitrile	Duggan, Genevieve	TURBOMOLE; 7.3	Single point	U-DFT	def2-TZVP	-6685.242029574; Eh
	27-Jan-2025	/POV_V_III_OH2_cis Single_Point_Cyclohexanone	Duggan, Genevieve	TURBOMOLE; 7.3	Single point	U-DFT	def2-TZVP	-6685.238795628; Eh

Results 380771-380780 of 402284 (Search time: 0.214 seconds).