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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 B-3CH2SiMe3_XRD	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) GEN	-1370.49355884; Eh
	16-Mar-2023	/LiB-TMP-no-ansiole Li-PMDETA-TMP-B-NHCH-frozen-ts-disp-b	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2307.46619382; Eh
	8-Jun-2022	/3x3 3x3-2L_AB	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	6-31G(D) 6-31G(D,P) GEN	-2302.81799857; Eh
	16-Mar-2023	/NaB-TMP-no-ansiole Na-PMDETA-TMP-dimer-b	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2183.43113598; Eh
	16-Mar-2023	/NaB-TMP-no-ansiole I1Na	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1091.69637279; Eh
	16-Mar-2023	/NaB-TMP-no-ansiole NaB-boration_prod	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2053.13320974; Eh
	16-Mar-2023	/LiB-TMP-no-ansiole Li-PMDETA-TMP	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-936.970398871; Eh
	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

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