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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	2-ethylquinoline_H2O_0_IPA_1_e_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-671.20635599; Eh
	7-Mar-2023	2-ethylquinoline_H2O_1_IPA_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-ethylquinoline_H2O_0_IPA_0_a_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-477.98368951; Eh
	7-Mar-2023	2-ethylquinoline_H2O_3_IPA_0_a_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization	-	def2-TZVPP	-710.78098632; Eh
	7-Mar-2023	IPA_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-193.20234285; Eh
	7-Mar-2023	H2O_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-76.06239435; Eh
	7-Mar-2023	8-chloro-2-methylquinoline_H2O_0_ACN_0_a_Ehigh	Haack, Alexander	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-897.85645218; Eh
	7-Mar-2023	8-chloro-2-methylquinoline_H2O_1_ACN_0_w_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-978.04958873; Eh
	7-Mar-2023	8-chloro-2-methylquinoline_H2O_2_ACN_0_a_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1054.54964468; Eh
	7-Mar-2023	8-chloro-2-methylquinoline_H2O_1_ACN_0_a_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-978.05436150; Eh

Results 21-30 of 120 (Search time: 0.002 seconds).