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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Jan-2026	SP_TSCD9	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1042.14362299267304; Eh
	28-Jan-2026	SP_TSCD8	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1026.03851859802057; Eh
	24-Jun-2025	/bis-PEtAm2 bis-PEtAm2_C2h_1_2	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	RHF; RB3LYP	STO-3G 3-21G 6-31G(D) 6-31+G(D)	-1061.37065047; Eh
	24-Jun-2025	/bis-PEtAm2 bis-PEtAm2_C2_1_2	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	RHF; RB3LYP	STO-3G 3-21G 6-31G(D) 6-31+G(D)	-1061.36825641; Eh
	24-Jun-2025	/bis-PEtAm2 bis-PEtAm2_C2h_2	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	RHF; RB3LYP	STO-3G 6-31G(D) 6-31+G(D)	-1061.35731446; Eh
	24-Jun-2025	/bis-PEtAm2 bis-PEtAm2_C2_2_3	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	RHF; RB3LYP	6-31+G(D) 6-31G(D)	-1061.33917273; Eh
	24-Jun-2025	/bis-PEtAm2 bis-PEtAm2_C2_2_1	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	RHF	STO-3G	-1057.66035776; Eh
	28-Jan-2026	C0-freq	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point Minimum	DFT	def2-svp; def2/J; ma-def2-svp	-948.83448402526255; Eh
	24-Jun-2025	/bis-PEtAm2 bis-PEtAm2_C2h_1_1	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Single point Structure	-	-	-1045.43250300; Eh
	24-Jun-2025	/bis-PEtAm2 bis-PEtAm2_C2_1_1	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Single point Structure	-	-	-1045.43682482; Eh

Results 379641-379650 of 403438 (Search time: 0.194 seconds).