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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Apr-2020	Co-cat-py	Garcia Melchor, Max	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-2080.52560483; Eh
	28-Apr-2020	pyridine	Garcia Melchor, Max	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-248.202446809; Eh
	28-Apr-2020	NH3-BH3	Garcia Melchor, Max	Gaussian; 09; AM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	6-31+G(D) 6-31G(D,P) 6-31G(D) GEN	-83.1961458290; Eh
	28-Apr-2020	H2	Garcia Melchor, Max	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1.17505517307; Eh
	28-Apr-2020	NH2-BH2	Garcia Melchor, Max	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-82.0200691210; Eh
	6-Aug-2022	/monometallic_sodiation/TS Na2-ben-C6F5H-Int-ts-disp-Bb	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3031.56604874; 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
	6-Aug-2022	/monometallic_sodiation/TS Na2-ben-noHMDSH	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2157.69392942; 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	/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

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