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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Jun-2018	TS14-02DMF	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-1855.18795362; Eh
	4-Jun-2018	TS15-16DMF	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G**	-1855.19511803; Eh
	22-Nov-2022	OCH3_C4_33_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1605.68990105; Eh
	22-Nov-2022	DMA_C4_35_TS2_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-1625.07456316; Eh
	22-Nov-2022	Parent_33_TS_MN15_def2-SVP_SMD	Ahmed, Yusef	Gaussian; 16; EM64M-G16RevA.03	Geometry optimization TS	RMN15	DEF2SVP	-1491.39353188; Eh
	22-Nov-2022	DMA_C2-C5_35_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	DEF2SVP	-1758.74708963; Eh
	22-Nov-2022	SH_C2-C5_35_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-2287.22452827; Eh
	22-Nov-2022	DMA_C2-C6_35_TS1_MN15_def2-QZVPP_SMD_chloroform	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2QZVPP	-1760.67880240; Eh
	22-Nov-2022	DMA_C2-C5_35_TS2_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	DEF2SVP	-1758.75026509; Eh
	22-Nov-2022	SCH3_C2-C5_35_TS1_MN15_def2-SVP	Ahmed, Yusef	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	DEF2SVP	-2365.67242474; Eh

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