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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	/pOMePh_Bpin/PhI/large_basis_sets Cu_Phen_pOMePh	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1115.4747366; Eh
	23-Sep-2022	/pOMePh_Bpin/pNMe2_PhI pOMePh-pNMe2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-711.826883473; Eh
	23-Sep-2022	/pOMePh_Bpin/pNMe2_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1492.25474773; Eh
	23-Sep-2022	/pNO2Ph_Bpin/PhI TMTS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1559.11985922; Eh
	29-Sep-2025	/Single-points/HSE-13-111kp/Pristine co-m-zro2	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-2138.66260887; eV
	23-Sep-2022	/pNMe2_Bpin/pOMe_PhI/large_basis_sets Cu_Phen_pNMe2Ph-pOMePh_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1777.1380904; Eh
	23-Sep-2022	/pNMe2_Bpin/pOMe_PhI/large_basis_sets Cu_Phen_pNMe2Ph_pOMePhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1777.0312281; Eh
	23-Sep-2022	/pNMe2_Bpin/PhI/large_basis_sets Cu_Phen_pNMe2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1134.9253168; Eh
	23-Sep-2022	/pOMePh_Bpin/PhI/large_basis_sets TMTS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1469.5003112; Eh
	23-Sep-2022	/pOMePh_Bpin/PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1642.9821044; Eh

Results 24071-24080 of 101821 (Search time: 0.017 seconds).