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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Mar-2023	/Anisole-alternative-TSs NaB_ts1Conf1-fix-ts1	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2399.75301465; Eh
	16-Mar-2023	/NaB-TMP-no-ansiole Na-PMDETA-TMP-B-NHscan-ts	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2462.19197155; 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
	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	/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
	19-Nov-2023	/H2O2/proton-shuttle TS12-proton-shift	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.90800422; Eh
	19-Nov-2023	/H2O2/12-hydride-shift TSH-JRR	Mu, Manting	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.91171824; Eh
	19-Nov-2023	/H2O2/12-hydride-shift TSH’-HSR	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.92222419; Eh
	19-Nov-2023	/H2O2/12-hydride-shift TSH’-HSS	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1234.92162094; Eh
	19-Nov-2023	/TBHP/proton-shuttle-inter TSpCo-Jo	Mu, Manting	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) 6-31+G(D,P) GEN	-1467.36100305; Eh

Results 21-30 of 60 (Search time: 0.002 seconds).