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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/pMe_PhI Cu_Phen_pNMe2PhpMePh_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1417.19777010; Eh
	23-Sep-2022	/pNO2Ph_Bpin/PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1733.0006229; Eh
	23-Sep-2022	/pNO2Ph_Bpin/PhI/large_basis_sets pNO2Ph-Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-668.0232078; Eh
	23-Sep-2022	/pNMe2_Bpin/pMe_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1417.04619986; Eh
	23-Sep-2022	/pNMe2_Bpin/pNMe2_PhI/large_basis_sets Cu_Phen_pNMe2PhpNMe2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1796.5894296; Eh
	23-Sep-2022	/pNMe2_Bpin/pNMe2_PhI/large_basis_sets Cu_Phen_pNMe2Ph_pNMe2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1796.4873695; Eh
	23-Sep-2022	/pNMe2_Bpin/pNMe2_PhI Cu_Phen_pNMe2Ph_pNMe2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1511.74459457; Eh
	23-Sep-2022	/pNO2Ph_Bpin/PhI Cu_Phen_F_pNO2PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1559.14460185; Eh
	23-Sep-2022	/pNMe2_Bpin/pNMe2_PhI/large_basis_sets pNMe2Ph-pNMe2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-731.480516; Eh
	23-Sep-2022	/pNMe2_Bpin/pNMe2_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1796.4470048; Eh

Results 24551-24560 of 100175 (Search time: 0.015 seconds).