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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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_0_ACN_1_a_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1034.43424941; 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
	7-Mar-2023	8-chloro-2-methylquinoline_H2O_0_ACN_1_x_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1034.42779124; Eh
	7-Mar-2023	8-chloro-2-methylquinoline_H2O_0_ACN_1_w_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1034.42789379; Eh
	16-Jun-2023	/GSH GSH-H_tt_307_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24154652; Eh
	17-Apr-2024	EtOAc+H_mixed_b	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-692.71277043; Eh
	17-Apr-2024	EtOAc+H_mixed_a	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-692.72070029; Eh
	17-Apr-2024	EtOAc+H_dimer	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-616.22671291; Eh

Results 3901-3910 of 3920 (Search time: 0.004 seconds).