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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Jan-2026	cu_constant_potential_o_3	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-37.33924156; eV
	19-Jan-2026	pd_slab_h_7_dipole	Brennan-Pollak, Conor	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Geometry optimization	DFT	-	-54.97684273; eV
	19-Jan-2026	pd_slab_h_7_freq	Brennan-Pollak, Conor	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Frequencies	DFT	-	-54.97843212; eV
	8-Apr-2026	TS_B_B_primeprime	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RmPW1PW91	6-31+G(D,P)	-781.559357680; Eh
	19-Jan-2026	ni_constant_potential_bare_redo_1_002	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-53.34020870; eV
	19-Jan-2026	ni_constant_potential_bare_redo_0_998	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-48.34841702; eV
	19-Jan-2026	pd_slab_o_1_fcc_dipole	Brennan-Pollak, Conor	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Geometry optimization	DFT	-	-36.28828979; eV
	19-Jan-2026	pd_slab_o_1_bridge2	Brennan-Pollak, Conor	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Geometry optimization	DFT	-	-36.29200198; eV
	19-Jan-2026	pd_slab_o_1_hcp_freq	Brennan-Pollak, Conor	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Frequencies	DFT	-	-36.11691120; eV
	19-Jan-2026	pd_slab_o_4_dipole	Brennan-Pollak, Conor	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Geometry optimization	DFT	-	-50.25423836; eV

Results 393431-393440 of 397867 (Search time: 0.228 seconds).