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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Jan-2026	au_constant_potential_h_1_bader	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-26.31371882; eV
	19-Jan-2026	au_constant_potential_h_4_top_0_994	Brennan-Pollak, Conor	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Geometry optimization	DFT	-	-24.75479150; eV
	19-Jan-2026	au_constant_potential_h_1_hcp_0_998	Brennan-Pollak, Conor	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Geometry optimization	DFT	-	-23.22614072; eV
	19-Jan-2026	au_constant_potential_oh_3_hcp_freq	Brennan-Pollak, Conor	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Frequencies	DFT	-	-52.25787658; eV
	19-Jan-2026	au_constant_potential_oh_4_1_002	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-65.05931414; eV
	19-Jan-2026	au_constant_potential_oh_3_dipole	Brennan-Pollak, Conor	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Geometry optimization	DFT	-	-52.64323283; eV
	19-Jan-2026	au_constant_potential_h_3_0_996	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-26.33778674; eV
	19-Jan-2026	au_constant_potential_h_1_dipole	Brennan-Pollak, Conor	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Geometry optimization	DFT	-	-26.31373140; eV
	8-Apr-2026	/optimization_minima I2na_freq	Narayanan S J, Jishnu; Major, Dan T	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP; def2/J	-780.77648357566738; Eh
	8-Apr-2026	/optimization_minima I2_freq	Narayanan S J, Jishnu; Major, Dan T	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-SVP; def2/J	-780.77636858334051; Eh

Results 393551-393560 of 397867 (Search time: 0.273 seconds).