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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-lowest-energypath I4	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-1950.67388949; Eh
	16-Mar-2023	/Anisole-lowest-energypath 2	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2297.37633348; 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
	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
	16-Mar-2023	/Anisole-lowest-energypath I2	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2399.78311590; 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	/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-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

Results 61-70 of 110 (Search time: 0.002 seconds).