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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_H-_at_carbon_gas_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1367.36763669; Eh
	24-Jul-2023	4_deprot_DHP-pos3_mecn_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1366.18584487; 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
	24-Jul-2023	Me3SiF_mecn_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-508.39217164; Eh
	24-Jul-2023	DBUH+_mecn_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-461.20412369; Eh
	24-Jul-2023	4_H-_at_carbon_mecn_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1367.43814096; Eh
	24-Jul-2023	4_deprot_Me_mecn_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1366.16841959; Eh
	24-Jul-2023	4_deprot_Me_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-1367.05241993; Eh
	24-Jul-2023	butene_mecn_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-156.71848794; Eh

Results 21-30 of 41 (Search time: 0.001 seconds).