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

Search

previous
1
...
15
16
17
18
19
20
21
...
39
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/pNO2Ph_Bpin/PhI Cu_Phen_pNO2Ph_PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1448.29955231; Eh
	23-Sep-2022	/pOMePh_Bpin/pNMe2_PhI Cu_Phen_pOMePh_pNMe2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1492.29686694; Eh
	23-Sep-2022	/pNO2Ph_Bpin/pNO2_PhI pNO2Ph-pNO2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-872.333427504; Eh
	23-Sep-2022	/pOMePh_Bpin/pNMe2_PhI Cu_Phen_pOMePhpNMe2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1492.40416725; 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	/pNO2Ph_Bpin/PhI pNO2Ph-Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-667.829349951; Eh
	23-Sep-2022	/pNO2Ph_Bpin/pNMe2_PhI/large_basis_sets Cu_Phen_pNO2Ph_pNMe2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G* GEN*	-1867.05542275; Eh
	23-Sep-2022	/pNO2Ph_Bpin/pNMe2_PhI/large_basis_sets Cu_Phen_pNO2PhpNMe2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G* GEN*	-1867.15363676; Eh
	23-Sep-2022	/pNO2Ph_Bpin/pNMe2_PhI/large_basis_sets pNO2Ph-pNMe2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G* GEN*	-802.041349506; Eh
	23-Sep-2022	/pNMe2_Bpin/pMe_PhI Cu_Phen_pNMe2Ph_pMePhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1417.08469528; Eh

Results 171-180 of 387 (Search time: 0.001 seconds).