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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	4_Bu_beta_elim_mecn_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1209.50758452; Eh
	24-Jul-2023	Me3Si+_mecn_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-408.43648435; Eh
	24-Jul-2023	Me3Si+_gas_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-408.34776597; Eh
	24-Jul-2023	Me3Si+_mecn_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-408.44516186; Eh
	24-Jul-2023	F-_gas_opt	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-99.58814107; Eh
	24-Jul-2023	4_F-_at_phos_mecn_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1466.53507415; Eh
	24-Jul-2023	4_H-_at_phos_gas_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1367.29693731; Eh
	24-Jul-2023	PBu3H+_mecn_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-813.56764792; Eh
	24-Jul-2023	PBu3_mecn_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-813.10264797; Eh
	24-Jul-2023	4_F-_at_carbon_mecn_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1466.54269771; Eh

Results 11-20 of 41 (Search time: 0.002 seconds).