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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Aug-2025	LiTS2_Li_PMDETA_bthph_NBN	McGinley, Ana	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1880.36268544; Eh
	11-Aug-2025	Li_PMDETA_TMP	McGinley, Ana	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-936.970291680; Eh
	1-Apr-2026	Cr_Tpb_3,5-Me_ls	Garcia Duran, Arnau; Cirera, Jordi	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	DEF2-TZVP	-2920.78946129895394; Eh
	2-Apr-2026	/Triplets_and_Bond_Dissociation_Energies 31-3diss_wB97XD_def2svp_SMD-DCM_ener_opt_freq	Serapian, Stefano A.	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	DEF2SVP	-1434.73194676; Eh
	19-Jan-2026	pd_slab_constant_potential_bare_supercell_1x1_1_006	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-7.90980303; eV
	19-Jan-2026	pd_slab_constant_potential_bare_supercell_1x1_0_996	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-5.57824135; eV
	19-Jan-2026	pd_slab_constant_potential_bare_supercell_1x1_0_998	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-6.14657399; eV
	19-Jan-2026	pd_slab_constant_potential_h_7_1_006	Brennan-Pollak, Conor	vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex	Geometry optimization	DFT	-	-61.49505713; eV
	19-Jan-2026	ni_constant_potential_h_8_0_994	Brennan-Pollak, Conor	vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex	Single point	DFT	-	-69.41283113; eV
	24-Nov-2025	/Xray_Minima 34	Wang-Yeuk, Kong	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	DEF2TZVPP	-2445.65162049; Eh

Results 392931-392940 of 397899 (Search time: 0.24 seconds).