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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2021	Na2-P	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2540.71005946; Eh
	19-Mar-2021	Na2-I2	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3414.59398721; Eh
	19-Mar-2021	Na2-TS	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3414.57637927; Eh
	6-Aug-2022	/reactant NaHMDS-2ben	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-1499.92802097; Eh
	6-Aug-2022	/reactant Na2-2ben	Mu, Manting	Gaussian; 09; AM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2535.55040997; Eh
	6-Aug-2022	/intermediates Na2-1ben	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2303.35362248; Eh
	6-Aug-2022	/reactant Na2	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2071.15460282; Eh
	6-Aug-2022	/intermediates Na3-HMDS3-disp-f-prod-2C6F5	Mu, Manting	Gaussian; 09; AM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2815.43760846; Eh
	6-Aug-2022	/intermediates Na3-HMDS3-disp-f-prod	Mu, Manting	Gaussian; 09; AM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2961.10050710; Eh
	6-Aug-2022	/monometallic_sodiation/TS Na2-ben-C6F5H-Int-ts-disp-F	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3031.57640557; Eh

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