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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jul-2025	spx_TS-1f_20250715230953	Brandon, Laurence	Orca; 6.0.0; RELEASE	Single point	DFT	def2-QZVP	-5284.59333823817997; Eh
	16-Jul-2025	irc_TS-1a_20250715234931	Brandon, Laurence	Orca; 6.0.0; RELEASE	Single point	DFT	-	-5827.72008984265176; Eh
	20-May-2025	Me3PAuBr_wb97xd_toluene	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	CC-PVTZ GENECP	-1013.9682636; Eh
	20-May-2025	Me3SnBr_wb97xd_toluene	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	CC-PVTZ GENECP	-751.1030814; Eh
	20-May-2025	Me3SnBr_m062x_toluene	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	CC-PVTZ GENECP	-751.0507702; Eh
	20-May-2025	Me3SnBr_b3lyp_toluene	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-751.1569695; Eh
	20-May-2025	Me3SnBr_bp86_toluene	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	CC-PVTZ GENECP	-751.2945883; Eh
	20-May-2025	Me3SnBr_m06_toluene	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	CC-PVTZ GENECP	-751.0722825; Eh
	20-May-2025	Me3SnBr_bmk_toluene	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBMK	CC-PVTZ GENECP	-748.7554819; Eh
	16-Jul-2025	spx_I-3a-muNCR-anti_20250715235050	Brandon, Laurence	Orca; 6.0.0; RELEASE	Single point	DFT	def2-QZVP	-5827.73396633468474; Eh

Results 12121-12130 of 12842 (Search time: 0.009 seconds).