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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/PhI/large_basis_sets Cu_Phen_pNMe2Ph_PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1662.466401; Eh
	23-Sep-2022	/pNO2Ph_Bpin/PhI/large_basis_sets Cu_Phen_pNO2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1205.4926137; Eh
	23-Sep-2022	/pNO2Ph_Bpin/pNMe2_PhI pNO2Ph-pNMe2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-801.808309703; Eh
	23-Sep-2022	/pNO2Ph_Bpin/pNMe2_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1582.24056920; Eh
	23-Sep-2022	/pNMe2_Bpin/pOMe_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1492.25231859; Eh
	23-Sep-2022	/pNO2Ph_Bpin/pNO2_PhI/large_basis_sets Cu_Phen_pNO2Ph_pNO2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1937.6087829; Eh
	23-Sep-2022	/pNO2Ph_Bpin/pNO2_PhI/large_basis_sets Cu_Phen_pNO2PhpNO2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1937.7048807; Eh
	23-Sep-2022	/pNO2Ph_Bpin/PhI/large_basis_sets Cu_Phen_pNO2PhPh_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1733.1333746; Eh
	23-Sep-2022	/pNO2Ph_Bpin/PhI/large_basis_sets Cu_Phen_pNO2Ph_PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1733.0340831; Eh
	23-Sep-2022	/pNMe2_Bpin/PhI/large_basis_sets Cu_Phen_pNMe2PhPh_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1662.5758377; Eh

Results 24541-24550 of 100263 (Search time: 0.016 seconds).