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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Mar-2023	/NaB-TMP-no-ansiole 2NaPMDETA-TMP-fix-ts	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3553.89374681; Eh
	16-Mar-2023	/LiB-TMP-no-ansiole Li-PMDETA-TMP-B-NHCH-frozen-ts-b	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2307.44585904; Eh
	6-Aug-2022	/reaction_profile NaCo-sodiation-new-ts	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.39814694; Eh
	16-Mar-2023	/Anisole-lowest-energypath TS3	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2297.30649769; Eh
	16-Mar-2023	/Anisole-lowest-energypath TS21a	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2399.78417920; Eh
	6-Aug-2022	/reaction_profile NaCo_TS-fix-ts	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.38720144; Eh
	6-Aug-2022	/monometallic_sodiation/TS Na2-ben-C6F5H-Int-ts	Mu, Manting	Gaussian; 09; AM64L-G09RevA.02	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3031.55391670; Eh
	6-Aug-2022	/reaction_profile NaCo-Cobaltallation-New-ts	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.38567280; Eh
	8-Apr-2024	/figureS1 1TS2Z	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1618.19906899; Eh
	8-Apr-2024	/figureS1 1I2Z	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1618.19565468; Eh

Results 81-90 of 103 (Search time: 0.002 seconds).