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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jul-2023	4_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1367.37275497; Eh
	24-Jul-2023	4_DHP-pos4_ylidene_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-553.49477387; Eh
	24-Jul-2023	4_deprot_DHP-pos4_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-1367.11068763; Eh
	24-Jul-2023	4_DHP-pos4_ylidene_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-553.49478677; Eh
	24-Jul-2023	4_deprot_DHP-pos3_mecn_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-1367.05475633; Eh
	24-Jul-2023	4_deprot_DHP-pos4_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-1367.11062474; Eh
	24-Jul-2023	4_deprot_DHP-pos3_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-1367.05622747; Eh
	21-Feb-2024	F_relaxed_scan	Novotny, Jan	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	def2-TZVPP	-1515.41990541; Eh
	21-Feb-2024	DMSO_Cl4_opt	Novotny, Jan	Orca; 5.0.4; RELEASE	Single point	DFT	def2-TZVPP	-2775.80579162; Eh
	21-Feb-2024	F_coplanar_R	Novotny, Jan	Orca; 5.0.3; RELEASE	Single point	DFT	def2-TZVPP	-1515.41996878; Eh

Results 481-490 of 501 (Search time: 0.001 seconds).