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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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	/R_PhBpin/large_basis_sets mOH-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-561.0815924; 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 Cu_phen_F	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-869.1283188; Eh
	23-Sep-2022	/common/large_basis_sets CsI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	SDD GEN	-316.116661; Eh
	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 mCN-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-578.1014708; Eh
	23-Sep-2022	/cm5 mNO2PhI	Jover Modrego, Jesús	Gaussian; 09; AS64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-732.0937344; Eh
	23-Sep-2022	/cm5 mNMe2PhI	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-661.5398996; Eh
	23-Sep-2022	/cm5 mNH2_Bpin	Jover Modrego, Jesús	Gaussian; 09; AS64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-541.2125905; Eh

Results 27971-27980 of 103542 (Search time: 0.015 seconds).