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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	/Gaussian 5	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UM06L	DEF2SVP DEF2SVP/W06	-1404.47336424; Eh
	22-Aug-2022	/Gaussian TS3Aox	von Wolff, Niklas	Gaussian; 16; AM64L-G16RevC.01	Geometry optimization TS	UM06L	DEF2SVP DEF2SVP/W06	-1559.35860485; 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 TS0ox	von Wolff, Niklas	Gaussian; 16; AM64L-G16RevC.01	Geometry optimization TS	UM06L	DEF2SVP DEF2SVP/W06	-1558.16868940; Eh
	22-Aug-2022	/Gaussian TS2ox	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	UM06L	DEF2SVP DEF2SVP/W06	-1558.15186979; 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 TS1ox	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	UM06L	DEF2SVP DEF2SVP/W06	-1558.17259406; Eh
	22-Aug-2022	/Gaussian 1+	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	UM06L	DEF2SVP DEF2SVP/W06	-1864.01247662; Eh
	24-Jun-2022	RuIII	Tanwar, Mayank	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UM06L	GENECP/AUTO	-2192.76986036; Eh
	14-Sep-2023	/Scaling_factors OH_(opt-freq)_-_M06-L_6-311++G(2d,2p)_No_solvation	Nicolaou, Michael	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UM06L	6-311++G(2D,2P)	-75.7496079686; Eh

Results 651-660 of 665 (Search time: 0.002 seconds).