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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jul-2023	DBU_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-461.12935554; Eh
	24-Jul-2023	DBUH+_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-461.62180433; Eh
	24-Jul-2023	4_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-1367.59503661; Eh
	24-Jul-2023	butene_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-156.87939404; Eh
	24-Jul-2023	4_gas_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-1367.37273609; Eh
	24-Jul-2023	Me3Si+_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-408.44515890; Eh
	24-Jul-2023	Me3Si+_gas_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-408.35673937; Eh
	24-Jul-2023	Me3SiF_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-508.38540334; Eh
	24-Jul-2023	Me3SiH_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-409.24848482; Eh
	24-Jul-2023	Me3SiH_gas_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-409.24633254; Eh

Results 1-10 of 28 (Search time: 0.001 seconds).