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Showing results 41 to 51 of 51 < previous

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Oct-2021	/other_ligands dimer_Xantphos	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-6694.7075782; Eh
	12-Oct-2021	/other_ligands dppe	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-1687.3734415; Eh
	12-Oct-2021	/other_ligands NiCl2pydppe	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D) GENECP	-3903.4102437; Eh
	12-Oct-2021	/other_ligands NiCl2pyPCy32	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-4309.6828313; Eh
	12-Oct-2021	/other_ligands NiCl2pyPPh32	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-4287.9323918; Eh
	12-Oct-2021	/other_ligands NiCl2pyXantPhos	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-4478.6155645; Eh
	12-Oct-2021	/other_ligands NiCOD2	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-2132.0007328; Eh
	12-Oct-2021	/other_ligands PCy3	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-1046.797502; Eh
	12-Oct-2021	/other_ligands PPh3	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-1035.9197549; Eh
	12-Oct-2021	/other_ligands Xantphos	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-2262.5458627; Eh
	12-Oct-2021	/TS_B_B+_2py TS-B+-B-2py	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-5474.1883861; Eh

Showing results 41 to 51 of 51 < previous