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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 I51a	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2399.79124029; Eh
	16-Mar-2023	/Anisole-lowest-energypath I6	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2297.32336831; 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-alternative-TSs Na-anisol-BR2-second-product_scanbackCHb-sBCbb-ts1	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2297.30121333; Eh
	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
	6-Aug-2022	/reaction_profile NaCo-Cobaltallation-New-ts-dispF	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.39310853; Eh
	6-Aug-2022	/reaction_profile NaCo-Cobaltallation-New-ts-dispB	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3655.44887734; 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	/intermediates NaCo-Int-HMDS-2C6F5-disp-b	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2635.89688644; Eh
	6-Aug-2022	/reactant NaCo-3HMDS-XRD	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-2927.20869407; Eh

Results 111-120 of 136 (Search time: 0.001 seconds).