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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
12-Oct-2021	/ArX 2-pyCl	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-707.7591977; Eh
12-Oct-2021	/ArX 3-pyCl	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-707.754282; Eh
12-Oct-2021	/ArX 4-pyCl	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-707.7555548; Eh
12-Oct-2021	/ArX PhCl	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-691.7159853; Eh
12-Oct-2021	/COD COD	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-311.8618736; Eh
12-Oct-2021	/Dimer_Pathway 3-Cl	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-7690.3036531; Eh
12-Oct-2021	/Dimer_Pathway C	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-5474.1915937; Eh
12-Oct-2021	/Dimer_Pathway C_alt_isomer2	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-5474.1880022; Eh
12-Oct-2021	/Dimer_Pathway D	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-10948.4188335; Eh
12-Oct-2021	/Dimer_Pathway E	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-10948.3932629; Eh
12-Oct-2021	/Dimer_Pathway F	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-10948.3944114; Eh
12-Oct-2021	/Dimer_Pathway G	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-7690.241448; Eh
4-Oct-2021	/dnppe_system A-dnppe	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-3978.6809412; Eh
4-Oct-2021	/dnppe_system B-dnppe	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-3978.6451592; Eh
4-Oct-2021	/dnppe_system C-D-TS-dnppe_oss	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-4221.5295523; Eh
4-Oct-2021	/dnppe_system C-D-TS-dnppe_triplet	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-4221.5153525; Eh
4-Oct-2021	/dnppe_system C-dnppe	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-4221.5454238; Eh
4-Oct-2021	/dnppe_system D-dnppe_oss	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-4221.5307747; Eh
4-Oct-2021	/dnppe_system D-dnppe_triplet	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UM06	6-311+G(D,P) GENECP	-4221.5291114; Eh
4-Oct-2021	/dnppe_system dnppe	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P) GENECP	-1235.1713516; Eh

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