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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Apr-2021	/N_sulfonylguanidine n1-ts2-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D)	-2347.19805434; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/wb97xd TS2N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-772.997156072; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/wb97xd TS2W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-635.651926870; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/wb97xd TS2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-559.201735176; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/wb97xd TS2NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D,P)	-849.441885929; Eh
	21-Jun-2018	/THF_solvent Bc-Ligand_THF	Mudarra, Ángel Luís; Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(d)	-1112.00383035; Eh
	21-Jun-2018	/THF_solvent 4a_dimer_THF	Mudarra, Ángel Luís; Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	SDD; 6-31G(d)	-3193.24057977; Eh
	21-Jun-2018	/DMF_solvent 4a_dimer_DMF	Mudarra, Ángel Luís; Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	SDD; 6-31G(d)	-3193.24580396; Eh
	7-Mar-2024	TS5-6-S	Díaz Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	DEF2SVP	-3637.31703258; Eh
	7-Mar-2024	TS2-3-S	Díaz Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	DEF2SVP	-3037.93627768; Eh

Results 41-50 of 51 (Search time: 0.002 seconds).