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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 OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1785.30385444; Eh
	23-Sep-2022	/pF_Bpin/pNMe2_PhI pFPh-pNMe2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-696.532894316; Eh
	23-Sep-2022	/pF_Bpin/pNMe2_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1476.96312315; Eh
	4-Sep-2023	D1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-908.915004360; Eh
	23-Sep-2022	/C6F5_Bpin/pNMe2_PhI Cu_Phen_pNMe2PhC6F5_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1874.00945625; Eh
	23-Sep-2022	/mmMePh_Bpin/large_basis_sets Cu_Phen_F_mmMePhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1433.6247422; Eh
	23-Sep-2022	/mmMePh_Bpin/large_basis_sets Cu_Phen_mmMePh	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1079.5729171; Eh
	23-Sep-2022	/C6F5_Bpin/pOMe_PhI pOMePh-C6F5	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-1073.97625233; Eh
	23-Sep-2022	/C6F5_Bpin/pNMe2_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1873.88975551; Eh
	23-Sep-2022	/C6F5_Bpin/PhI RETS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1739.95236819; Eh

Results 27911-27920 of 103542 (Search time: 0.015 seconds).