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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Mar-2023	/LiB-TMP-no-ansiole Li-PMDETA-TMP-B-NHCH-frozen-ts-disp-f	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2307.46726284; Eh
	8-Jun-2022	/4x4 4x4-4L_ABAB	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D) 6-31G(D,P) GEN	-7358.69495517; Eh
	8-Jun-2022	/4x4 4x4-3L_ABA	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D) 6-31G(D,P) GEN	-5518.99289394; Eh
	8-Jun-2022	/3x3 3x3-1L	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D) 6-31G(D,P) GEN	-1151.37962247; Eh
	8-Jun-2022	/td-DFT 4x4-3L-3x3-ABA	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RwB97XD; TD-FC	6-31G(D,P) GEN	-4142.5102036; Eh
	8-Jun-2022	/td-DFT 4x4-3L-ABA	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RwB97XD; TD-FC	6-31G(D,P) GEN	-5518.9928939; Eh
	8-Jun-2022	/td-DFT 4x4-4L-ABAB	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RwB97XD; TD-FC	6-31G(D,P) GEN	-7358.6949552; Eh
	8-Jun-2022	/3x3 3x3-3L_ABA	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D) 6-31G(D,P) GEN	-3454.25895737; Eh
	8-Jun-2022	/3x3 3x3-3L_ABC	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RwB97XD	6-31G(D) 6-31G(D,P) GEN	-3454.25774036; Eh
	8-Jun-2022	/2x2 2x2-1L	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	6-31G(D) 6-31G(D,P) GEN	-615.569511343; Eh

Results 61-70 of 196 (Search time: 0.002 seconds).