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

Search

previous
1
...
2504
2505
2506
2507
2508
2509
2510
...
10014
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/OATS C6F5-pCN	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1832.15836031; Eh
	23-Sep-2022	/cm5 mmNMe2_Bpin	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-753.8579957; Eh
	23-Sep-2022	/cm5 mmMePhI	Jover Modrego, Jesús	Gaussian; 09; AS64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-606.1864; Eh
	23-Sep-2022	/R_PhBpin/large_basis_sets C6F5-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-982.1349737; Eh
	23-Sep-2022	/R_PhBpin/large_basis_sets mCF3-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-822.9833058; Eh
	23-Sep-2022	/R_PhBpin/large_basis_sets mCl-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-945.4548152; Eh
	23-Sep-2022	/R_PhBpin/large_basis_sets mCN-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-578.1014708; Eh
	23-Sep-2022	/cm5 mmNMe2PhI	Jover Modrego, Jesús	Gaussian; 09; AS64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-795.5551167; Eh
	23-Sep-2022	/cm5 mmNO2_Bpin	Jover Modrego, Jesús	Gaussian; 09; AS64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-894.9652885; Eh
	23-Sep-2022	/cm5 mmOMe_Bpin	Jover Modrego, Jesús	Gaussian; 09; AS64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-714.954206; Eh

Results 25061-25070 of 100136 (Search time: 0.016 seconds).