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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/pNMe2_Bpin/pCF3_PhI Cu_Phen_pNMe2PhpCF3Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1714.91949165; Eh
	23-Sep-2022	/pNMe2_Bpin/pF_PhI Cu_Phen_pNMe2PhpFPh_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1477.11007331; Eh
	23-Sep-2022	/pNMe2_Bpin/pF_PhI Cu_Phen_pNMe2Ph_pFPhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1476.99638617; Eh
	23-Sep-2022	/pNMe2_Bpin/pF_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1761.7012152; Eh
	23-Sep-2022	/pNMe2_Bpin/pCF3_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1714.76609854; Eh
	26-Aug-2024	geom3_nox2_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1411.3457644; Eh
	26-Aug-2024	geom211_nox_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-858.5172836; Eh
	26-Aug-2024	geom79_nox_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-782.0839534; Eh
	26-Aug-2024	geom131_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-764.3438811; Eh
	25-Jun-2024	/Intermediates/Ni/110 C4H10N2_15	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-460.82052283; eV

Results 27891-27900 of 103542 (Search time: 0.016 seconds).