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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	2-ethylquinoline_H2O_1_ACN_0_a_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-554.06474137; Eh
	7-Mar-2023	2-hydroxyquinoline_H2O_1_ACN_1_a_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-682.85873550; Eh
	7-Mar-2023	2-hydroxyquinoline_H2O_1_ACN_1_e_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-682.86787105; Eh
	7-Mar-2023	2-hydroxyquinoline_H2O_1_ACN_1_c_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-682.85427309; Eh
	7-Mar-2023	2-hydroxyquinoline_H2O_1_ACN_0_b_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-550.86210802; Eh
	7-Mar-2023	2-hydroxyquinoline_H2O_0_ACN_2_b_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-738.77404636; Eh
	7-Mar-2023	2-hydroxyquinoline_H2O_1_ACN_1_d_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-682.86832882; Eh
	7-Mar-2023	2-hydroxyquinoline_H2O_0_ACN_2_c_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-738.78896599; Eh
	7-Mar-2023	2-hydroxyquinoline_H2O_0_ACN_1_b_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-606.78380104; Eh
	7-Mar-2023	2-hydroxyquinoline_H2O_1_ACN_0_a_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-550.86715399; Eh

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