ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
2849
2850
2851
2852
2853
2854
2855
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/pCF3_Bpin/pNO2_PhI Cu_Phen_pCF3Ph_pNO2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1785.33702957; Eh
	23-Sep-2022	/pF_Bpin/pNMe2_PhI Cu_Phen_pFPh_pNMe2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1477.00460486; Eh
	23-Sep-2022	/pF_Bpin/pNMe2_PhI/large_basis_sets pFPh-pNMe2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-696.7355044; Eh
	23-Sep-2022	/Ph_Bpin/PhI/large_basis_sets TMTS_PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1354.9374202; Eh
	23-Sep-2022	/pF_Bpin/pNMe2_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1761.7069007; Eh
	23-Sep-2022	/pCF3_Bpin/PhI Cu_Phen_pCF3Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1337.73645139; Eh
	23-Sep-2022	/Ph_Bpin/PhI/large_basis_sets Ph-Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-463.4506844; Eh
	23-Sep-2022	/C6F5_Bpin/pF_PhI/large_basis_sets Cu_Phen_C6F5_pFPhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2124.0611557; Eh
	23-Sep-2022	/C6F5_Bpin/pOMe_PhI Cu_Phen_C6F5_pOMePhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1854.47674402; Eh
	23-Sep-2022	/C6F5_Bpin/pNMe2_PhI Cu_phen_C6F5_pNMe2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1873.93042892; Eh

Results 28511-28520 of 103542 (Search time: 0.016 seconds).