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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_061 disp_061	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.62062850; eV
	23-Sep-2022	/R_PhBpin/large_basis_sets mOMe-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-600.3910542; Eh
	23-Sep-2022	/common/large_basis_sets Cu_phen_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1065.0864051; Eh
	23-Sep-2022	/common/large_basis_sets F-Bpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-354.0295934; Eh
	23-Sep-2022	/common/large_basis_sets F	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-100.028382; Eh
	7-Jun-2024	/Benchmark_adcluster_sites 4-5A-on100-fixed-CO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	23-Sep-2022	/R_PhBpin/large_basis_sets pCl-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-945.4550147; Eh
	23-Sep-2022	/R_PhBpin/large_basis_sets pCOMe-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-638.5310466; Eh
	23-Sep-2022	/R_PhBpin/large_basis_sets pCN-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-578.1009557; Eh
	23-Sep-2022	/R_PhBpin/large_basis_sets pCF3-Bpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-822.9827944; Eh

Results 25031-25040 of 100136 (Search time: 0.016 seconds).