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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-May-2026	/UBn UBn-eda	O'Leary, Cara; Vlaisavljevich, Bess	AMS; 2024.105; r241119	Single point	PBE	-	-5.601146; eV
	20-May-2026	/UBn UBn-geopt	O'Leary, Cara; Vlaisavljevich, Bess	AMS; 2024.105; r241119	Frequencies	PBE	-	-950.585638; eV
	18-May-2026	/Optimization_Product_Structures Compound_40	Ross, Alicia	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-811.0227531; Eh
	18-May-2026	/Optimization_Product_Structures Compound_1	Ross, Alicia	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-811.0396014; Eh
	15-May-2026	NHC6	Martínez-Prieto, Luis Miguel; Baquero, Edwin; CÃ¡rdenas Acero, Alexander; Laplaza, RubÃ©n; Blanco, Carolina	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; def2/J	-1497.91870360860389; Eh
	15-May-2026	NHC7	Martínez-Prieto, Luis Miguel; Baquero, Edwin; CÃ¡rdenas Acero, Alexander; Laplaza, RubÃ©n; Blanco, Carolina	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; def2/J	-1497.81616533708188; Eh
	15-May-2026	NHC8	Martínez-Prieto, Luis Miguel; Baquero, Edwin; CÃ¡rdenas Acero, Alexander; Laplaza, RubÃ©n; Blanco, Carolina	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; def2/J	-1497.90091077893840; Eh
	18-May-2026	/NMR_Files/Compound_1_Files/Opt_Files Conformer_8	Ross, Alicia	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RmPW1PW91	6-311+G(2D,P)	-811.7338305; Eh
	18-May-2026	/NMR_Files/Compound_1_Files/Opt_Files Conformer_10	Ross, Alicia	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-811.791566689; Eh
	18-May-2026	/NMR_Files/Compound_1_Files/Opt_Files Conformer_9	Ross, Alicia	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-811.790581170; Eh

Results 397571-397580 of 397867 (Search time: 0.267 seconds).