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Showing results 61 to 66 of 66 < previous

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Sep-2021	TS_C4	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point TS	UwB97XD	DEF2TZVP	-1087.39754686; Eh
	20-Sep-2021	TS_C4B	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	DEF2TZVP	-1087.39552987; Eh
	20-Sep-2021	TS_C4P	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point TS	RwB97XD	DEF2TZVP	-1087.37844519; Eh
	20-Sep-2021	TS_C4PW	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point TS	RwB97XD	DEF2TZVP	-1163.85726345; Eh
	20-Sep-2021	TS_C4PWB	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point TS	RwB97XD	DEF2TZVP	-1163.86601066; Eh
	20-Sep-2021	TS_OO	Borowski, Tomasz	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	DEF2TZVP	-1087.41858017; Eh

Showing results 61 to 66 of 66 < previous