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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
1-Oct-2021	TS_BH_am_pCF3styr	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-985.812196110; Eh
1-Oct-2021	TS_BH_m_atfms	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	TZVP	-1192.19915626; Eh
1-Oct-2021	TS_BH_am_2_tfmvs	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-1152.86797571; Eh
1-Oct-2021	TS2_SN2_tfmb	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-3445.56752733; Eh
1-Oct-2021	TS_BH_am_atfms	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-1192.20398806; Eh
1-Oct-2021	TS_BH_am_tfmb	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-794.006858018; Eh
1-Oct-2021	TS_BH_am_hfib	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-1091.83288988; Eh
1-Oct-2021	TS_BH_m_hfib	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-1091.83090985; Eh
1-Oct-2021	TS_BH_Cy	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	TZVP	-573.599547942; Eh
23-Sep-2022	/OATS pNO2-ptBu	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1605.53458368; Eh

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