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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
11-Sep-2020	/Gaussian 3a	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP/W06	-
19-Nov-2020	TS4BBn	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RM06L	DEF2TZVP DEF2TZVP/W06	-1823.35744249; Eh
19-Nov-2020	17	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RM06L	DEF2TZVP DEF2TZVP/W06	-1518.97020041; Eh
11-Sep-2020	/Gaussian TS4CbpyEXP	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RM06L	DEF2TZVP/W06	-
11-Sep-2020	/Gaussian TS4BEXP	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RM06L	DEF2TZVP/W06	-
11-Sep-2020	/Gaussian TS4Bbpy	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP/W06	-
11-Sep-2020	/Gaussian TS4B	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RM06L	DEF2TZVP/W06	-
11-Sep-2020	/Gaussian TS3Abpy	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RM06L	DEF2TZVP/W06	-
11-Sep-2020	/Gaussian TS1D	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP/W06	-
11-Sep-2020	/Gaussian TS1B	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06L	DEF2TZVP/W06	-

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