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

Search

previous
1
...
2409
2410
2411
2412
2413
2414
2415
...
10183
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	23-Sep-2022	/pNO2Ph_Bpin/PhI/large_basis_sets TMTS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1559.5164407; Eh
	23-Sep-2022	/pNMe2_Bpin/PhI/large_basis_sets pNMe2Ph-Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-597.466121; Eh
	23-Sep-2022	/pNMe2_Bpin/PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1662.4324925; Eh
	23-Sep-2022	/pNMe2_Bpin/pNO2_PhI/large_basis_sets Cu_Phen_pNMe2PhpNO2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1867.1521049; Eh
	23-Sep-2022	/pNMe2_Bpin/pNO2_PhI/large_basis_sets Cu_Phen_pNMe2Ph_pNO2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1867.0412455; Eh
	23-Sep-2022	/pNMe2_Bpin/pNMe2_PhI Cu_Phen_pNMe2PhpNMe2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1511.85359474; Eh

Results 24111-24120 of 101821 (Search time: 0.015 seconds).