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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Sep-2025	/Gas-phase/CCSDT-F12 H2CO	Mates Torres, Eric	Orca; 5.0.3; RELEASE	Geometry optimization	CCSD(T)-F12	cc-pVTZ-F12; cc-pVTZ-F12-CABS; aug-cc-pVTZ; aug-cc-pVQZ/C; CPU.; CPU	-113.91274497; Eh
	3-Sep-2025	/Gas-phase/CCSDT-F12 CO	Mates Torres, Eric	Orca; 5.0.3; RELEASE	Geometry optimization	CCSD(T)-F12	cc-pVTZ-F12; cc-pVTZ-F12-CABS; aug-cc-pVTZ; aug-cc-pVQZ/C; CPU.; CPU	-112.78029114; Eh
	3-Sep-2025	/Gas-phase/B3LYP H2C2O2_+_NH3	Mates Torres, Eric	Orca; 5.0.3; RELEASE	Single point	DFT	def2-TZVP; CPU.; CPU	-284.34752032; Eh
	3-Sep-2025	/Gas-phase/B3LYP H2C2O2	Mates Torres, Eric	Orca; 5.0.3; RELEASE	Single point	DFT	def2-TZVP; CPU.; CPU	-227.79302468; Eh
	3-Sep-2025	/Gas-phase/B3LYP Glycine	Mates Torres, Eric	Orca; 5.0.3; RELEASE	Single point	DFT	def2-TZVP; CPU.; CPU	-284.40840289; Eh
	3-Sep-2025	/Gas-phase/B3LYP TS2	Mates Torres, Eric	Orca; 5.0.3; RELEASE	Single point	DFT	def2-TZVP; CPU.; CPU	-284.33745152; Eh
	3-Sep-2025	/Gas-phase/B3LYP TS1	Mates Torres, Eric	Orca; 5.0.3; RELEASE	Single point	DFT	def2-TZVP; CPU.; CPU	-227.74786335; Eh
	3-Sep-2025	/Gas-phase/B3LYP NH3	Mates Torres, Eric	Orca; 5.0.3; RELEASE	Single point	DFT	def2-TZVP; CPU.; CPU	-56.54914622; Eh
	24-Jun-2025	/bis-PEtAm2 bis-PEtAm2_C2_4_PPrelaxedscan_3	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Single point Structure	-	-	-1045.41405654; Eh
	24-Jun-2025	/bis-PEtAm2 bis-PEtAm2_Ci_1_PPrigidscan_1	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Single point Structure	UHF	STO-3G 3-21G 6-31G(D) 6-31+G(D)	-1061.33231836; Eh

Results 379661-379670 of 403438 (Search time: 0.201 seconds).