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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Mar-2019	Protonation_with_formanilide	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-650.251323185; Eh
	18-Mar-2019	Protonation_with_tertbutyl-methylphenol	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-910.380419763; Eh
	18-Mar-2019	Protonation_with_urea	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-474.708428180; Eh
	18-Mar-2019	Deprotonation_with_triphenylguanidine	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-1147.45733171; Eh
	18-Mar-2019	Concerted_eq_proton_transfer_with_tbd	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-840.648042027; Eh
	22-Mar-2020	/BP86_BS1_optimized_structures gabN_bmodm_ts1_phA1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RBP86	6-31G(D,P) SDDALL GEN	-2742.81108493; Eh
	22-Mar-2020	/BP86_BS1_optimized_structures ga_bN_bmodm_prod_dmad_r_scbidi_testallafa	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RBP86	6-31G(D,P) SDDALL GEN	-2967.51741705; Eh
	22-Mar-2020	/TPSS_BS1_optimized_structures tpss_pha_ts1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RTPSSTPSS	6-31G(D,P) SDDALL GEN	-2742.60334201; Eh
	22-Mar-2020	/TPSS_BS1_optimized_structures ga_tpss_dmadts	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RTPSSTPSS	6-31G(D,P) SDDALL GEN	-2967.31784244; Eh
	22-Mar-2020	/TPSSh_BS1_optimized_structures tpssh_pha_ts1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RTPSSh	6-31G(D,P) SDDALL GEN	-2742.41669696; Eh

Results 121-130 of 1388 (Search time: 0.002 seconds).