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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Aug-2022	/Orca TS1	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1559.17699088; Eh
	22-Aug-2022	/Gaussian RuBPYPF6	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-3460.06121487; Eh
	22-Aug-2022	/Gaussian RuBPY+	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UM06L	DEF2SVP DEF2SVP/W06	-3459.86822428; Eh
	22-Aug-2022	/Gaussian RuBPY	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1579.79753405; Eh
	22-Aug-2022	/Gaussian 11	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1847.13143685; Eh
	22-Aug-2022	/Gaussian H2	von Wolff, Niklas	Gaussian; 16; AM64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1.16681514887; Eh
	22-Aug-2022	/Gaussian TS3Box	von Wolff, Niklas	Gaussian; 16; AM64L-G16RevC.01	Geometry optimization TS	UM06L	DEF2SVP DEF2SVP/W06	-1404.41976060; Eh
	22-Aug-2022	/Gaussian EtOH	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-154.903570378; Eh
	22-Aug-2022	/Gaussian Ethanal	von Wolff, Niklas	Gaussian; 16; AM64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-153.701338874; Eh
	22-Aug-2022	/Orca TS2	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1559.17491575; Eh

Results 161-170 of 636 (Search time: 0.002 seconds).