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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jun-2025	/bis-PEtAm2 bis-PEtAm2_C2_2_2	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Single point Structure	-	-	-1057.67511762; Eh
	24-Jun-2025	/bis-PEtAm2 bis-PEtAm2_C2_4_PPrigidscan_3	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Single point Structure	UB3LYP	6-31G(D) 6-31+G(D)	-1061.31254952; Eh
	3-Sep-2025	/Surface/Strecker/Single_points NH2CH2OH	Mates Torres, Eric	vasp; 6.4.3; 19Mar24 (build Jun 10 2024 16:01:51) gamma-only	Single point	DFT	-	-1638.86626398; eV
	3-Sep-2025	/Surface/Strecker/Frequency_calculations NH2CH2OH	Mates Torres, Eric	vasp; 6.4.3; 19Mar24 (build Jun 10 2024 15:45:50) complex	Single point	DFT	-	-1194.57781017; eV
	3-Sep-2025	/Surface/Strecker/Single_points TS2_S	Mates Torres, Eric	vasp; 6.4.3; 19Mar24 (build Jun 10 2024 16:01:51) gamma-only	Single point	DFT	-	-1637.84458332; eV
	3-Sep-2025	/Surface/Strecker/Optimizations NH2CH2OH	Mates Torres, Eric	vasp; 6.4.3; 19Mar24 (build Jun 10 2024 15:45:50) complex	Single point	DFT	-	-1194.57816061; eV
	3-Sep-2025	/Surface/Strecker/Frequency_calculations TS2_S	Mates Torres, Eric	vasp; 6.4.3; 19Mar24 (build Jun 10 2024 15:45:50) complex	Single point	DFT	-	-1193.68038633; eV
	3-Sep-2025	/Surface/Strecker/Optimizations TS2_S	Mates Torres, Eric	vasp; 6.4.3; 19Mar24 (build Mar 3 2025 08:59:24) complex	Single point	DFT	-	-1193.63365585; eV
	3-Sep-2025	/Surface/Strecker/Single_points TS1_S	Mates Torres, Eric	vasp; 6.4.3; 19Mar24 (build Jun 10 2024 16:01:51) gamma-only	Single point	DFT	-	-1637.86883295; eV
	3-Sep-2025	/Surface/Strecker/Frequency_calculations TS1_S	Mates Torres, Eric	vasp; 6.4.3; 19Mar24 (build Jun 10 2024 15:45:50) complex	Single point	DFT	-	-1193.69276076; eV

Results 379651-379660 of 403438 (Search time: 0.21 seconds).