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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Jan-2024	/C418-4 C418_4-opt-freq-conf-194	Ross, Alicia	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-1379.01480389; Eh
	18-Jan-2024	/C418-4 C418_4-opt-freq-conf-208	Ross, Alicia	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P)	-1379.01179660; Eh
	18-Jan-2024	/C418-2 C418_2-nmr-conf-13	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9080269; Eh
	18-Jan-2024	/C418-2 C418_2-nmr-conf-07	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9063832; Eh
	18-Jan-2024	/C418-2 C418_2-nmr-conf-17	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9110838; Eh
	18-Jan-2024	/C418-2 C418_2-nmr-conf-15	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9080316; Eh
	18-Jan-2024	/C418-1 C418_1-nmr-conf-37	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9103848; Eh
	18-Jan-2024	/C418-3 C418_3-opt-freq-conf-49	Ross, Alicia	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9048893; Eh
	18-Jan-2024	/C418-3 C418_3-opt-freq-conf-45	Ross, Alicia	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9082457; Eh
	18-Jan-2024	/C418-3 C418_3-opt-freq-conf-36	Ross, Alicia	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9072254; Eh

Results 21-30 of 76 (Search time: 0.002 seconds).