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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/pNMe2_Bpin/pCF3_PhI/large_basis_sets Cu_Phen_pNMe2PhpCF3Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1999.7324124; Eh
	23-Sep-2022	/pNMe2_Bpin/pCF3_PhI/large_basis_sets Cu_Phen_pNMe2Ph_pCF3PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1999.6224985; Eh
	23-Sep-2022	/pNMe2_Bpin/pCF3_PhI Cu_Phen_pNMe2Ph_pCF3PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1714.80511585; Eh
	23-Sep-2022	/pMe_Bpin/pNO2_PhI Cu_Phen_pMePhpNO2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1487.72616879; Eh
	23-Sep-2022	/pNMe2_Bpin/pCF3_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1999.5897066; Eh
	23-Sep-2022	/pMe_Bpin/pNO2_PhI pMePh-pNO2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-707.150086360; Eh
	23-Sep-2022	/pMe_Bpin/pNO2_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1487.58150502; Eh
	24-Oct-2022	/Au dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-15.50927290; eV
	24-Oct-2022	/Ag dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-12.83123355; eV
	25-Jun-2024	/Intermediates/Ni/110 C4H10N2_16	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-460.98135697; eV

Results 28491-28500 of 103542 (Search time: 0.017 seconds).