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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Au/110 CH3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Pd/111 2011-2001+0011-b	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Rh/110 C_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	4-Jan-2023	/C6F5_Bpin/PhI Cu_Phen_C6F5_Ph_I_trans	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1739.92286729; Eh
	26-Dec-2022	/dispersion_interaction/pro-R Complex_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-2512.1496493; Eh
	26-Dec-2022	/dispersion_interaction/pro-R Base_opt	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GENECP	-371.060322384; Eh
	4-Jan-2023	/C6F5_Bpin/PhI/large_basis_sets Cu_Phen_C6F5_Ph_I_trans	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-2024.7732615; Eh
	4-Jan-2023	/C6F5_Bpin/PhI/large_basis_sets Cu_Phen_C6F5_Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2024.7817608; Eh
	16-Jan-2026	/FG_dataset/amidines/gas 4aZd	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-89.53895482; eV
	4-Jan-2023	/C6F5_Bpin/PhI/large_basis_sets Cu_C6F5_cation	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G* GEN*	-1497.0970315; Eh

Results 29821-29830 of 103542 (Search time: 0.017 seconds).