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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 Na-anisol-BR-product-scanCHb-ts2	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2399.77598208; 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
	28-Apr-2023	R-TS-II_60	Alegre Requena, Juan Vicente	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-2631.70740996; Eh
	28-Apr-2023	R-TS-I_24	Alegre Requena, Juan Vicente	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-2631.69661814; Eh
	28-Apr-2023	R-TS-III_56	Alegre Requena, Juan Vicente	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-2631.69433446; Eh
	28-Apr-2023	S-TS-III_4	Alegre Requena, Juan Vicente	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-2631.69347664; Eh
	28-Apr-2023	S-TS-I_1	Alegre Requena, Juan Vicente	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-2631.69562032; Eh
	20-Sep-2023	t7hr_pmm_ppm_temp	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-2534.12996405; Eh
	20-Sep-2023	t7h_mmm_pmm_temp	Artigas Ruf, Albert	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	DEF2SVP	-2534.11011575; Eh

Results 61-70 of 163 (Search time: 0.001 seconds).