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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Jan-2026	C14-freq	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point Minimum	DFT	def2-svp; def2/J; ma-def2-svp	-1153.22744751017194; Eh
	28-Jan-2026	C18-freq	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-svp; def2/J; ma-def2-svp	-1082.76091222431319; Eh
	28-Jan-2026	C19-freq	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-svp; def2/J; ma-def2-svp	-1337.59698487853530; Eh
	28-Jan-2026	C19	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization	DFT	def2-svp; def2/J; ma-def2-svp	-1337.59320828080627; Eh
	28-Jan-2026	C1	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-svp; ma-def2-svp	-717.83944364814522; Eh
	3-Sep-2025	/Surface/Non-Strecker/(120)/Optimizations z-Glycine	Mates Torres, Eric	vasp; 6.4.3; 19Mar24 (build Jun 10 2024 15:45:50) complex	Single point	DFT	-	-1212.02983255; eV
	3-Sep-2025	/Surface/Non-Strecker/(120)/Single_points z-Glycine	Mates Torres, Eric	vasp; 6.4.3; 19Mar24 (build Jun 10 2024 16:01:51) gamma-only	Single point	DFT	-	-1662.32768657; eV
	3-Sep-2025	/Surface/Non-Strecker/(120)/Single_points H2C2O2	Mates Torres, Eric	vasp; 6.4.3; 19Mar24 (build Jun 10 2024 16:01:51) gamma-only	Single point	DFT	-	-1634.01509936; eV
	3-Sep-2025	/Surface/Non-Strecker/(021)/Single_points H2CO	Mates Torres, Eric	vasp; 6.4.3; 19Mar24 (build Jun 10 2024 16:01:51) gamma-only	Single point	DFT	-	-2147.97064844; eV
	3-Sep-2025	/Surface/Non-Strecker/(120)/Frequency_calculations z-Glycine	Mates Torres, Eric	vasp; 6.4.3; 19Mar24 (build Jun 10 2024 15:45:50) complex	Single point	DFT	-	-1212.04992869; eV

Results 381011-381020 of 402241 (Search time: 0.217 seconds).