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

Search

previous
1
...
2735
2736
2737
2738
2739
2740
2741
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/common CsF	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-120.042770185; Eh
	23-Sep-2022	/common/large_basis_sets I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	GEN	-295.9921002; Eh
	23-Sep-2022	/cm5 pCOMePh_Bpin	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-638.5313466; Eh
	23-Sep-2022	/cm5 pClPh_Bpin	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-945.4552766; Eh
	23-Sep-2022	/cm5 pCNPh_Bpin	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-578.101185; Eh
	23-Sep-2022	/cm5 pCF3PhI	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-864.6782796; Eh
	23-Sep-2022	/cm5 pFPh_Bpin	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-585.0989111; Eh
	23-Sep-2022	/cm5 pClPhI	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-987.1496345; Eh
	23-Sep-2022	/cm5 pCOMePhI	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-680.2272332; Eh
	23-Sep-2022	/cm5 pCNPhI	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-619.7964784; Eh

Results 27371-27380 of 103542 (Search time: 0.017 seconds).