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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	/C6F5_Bpin/pOMe_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1854.43712977; Eh
	23-Sep-2022	/C6F5_Bpin/PhI RETS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1739.95236819; Eh
	23-Sep-2022	/C6F5_Bpin/PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1739.91052538; Eh
	6-Feb-2025	/MASnI3_I4_mcm OPT	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Geometry optimization	DFT	-	-207.70817259; eV
	23-Sep-2022	/C6F5_Bpin/pF_PhI/large_basis_sets Cu_Phen_pFPhC6F5_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2124.1336805; Eh
	23-Sep-2022	/C6F5_Bpin/pNMe2_PhI Cu_Phen_pNMe2PhC6F5_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1874.00945625; Eh
	23-Sep-2022	/mmMePh_Bpin/large_basis_sets Cu_Phen_mmMePh_PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1607.1146722; Eh
	23-Sep-2022	/mmMePh_Bpin/large_basis_sets Cu_Phen_mmMePh	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1079.5729171; Eh
	23-Sep-2022	/C6F5_Bpin/pNMe2_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1873.88975551; Eh
	23-Sep-2022	/C6F5_Bpin/PhI TMTS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1850.75929725; Eh

Results 24771-24780 of 100175 (Search time: 0.016 seconds).