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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Feb-2024	ch3hcooo-h-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-304.912726174; Eh
	23-Sep-2022	/R_PhBpin/large_basis_sets mmF-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-684.3660233; Eh
	23-Sep-2022	/R_PhBpin/large_basis_sets mMe-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-525.1591037; Eh
	23-Sep-2022	/R_PhI/large_basis_sets mmCF3-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1201.828626; Eh
	23-Sep-2022	/R_PhBpin mCF3-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-822.725002500; Eh
	23-Sep-2022	/R_PhBpin C6F5-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-981.814226552; Eh
	23-Sep-2022	/R_PhI/large_basis_sets mF-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-626.7928417; Eh
	6-Feb-2025	Additional_Files	Echeverria, Carlos	-	-	-	-	-	-	-	-
	23-Sep-2022	/R_PhBpin/large_basis_sets mmNMe2-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-753.8574448; Eh
	23-Sep-2022	/R_PhBpin/large_basis_sets mmMe-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-564.4898081; Eh

Results 25001-25010 of 100136 (Search time: 0.017 seconds).