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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Oct-2021	/Nidppf_OATS TS-A-B-4pyCl	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-5474.1476007; Eh
	12-Oct-2021	/Nidppf_OATS TS-A-B-3pyCl	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-5474.1431909; 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 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 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 dppe	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-1687.3734415; Eh
	8-Aug-2022	val-pd-dmso	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN	-1786.45748299; Eh
	8-Aug-2022	val-TS-UR	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	RM06	LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN	-2221.15874570; Eh
	8-Aug-2022	nob-TS-DR	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN	-2719.54781813; Eh

Results 411-420 of 569 (Search time: 0.001 seconds).