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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Sep-2023	/P_radicals/PCy3/PCy3 PCy3_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	DEF2TZVP	-1046.402084; Eh
	2-Sep-2023	/P_radicals/PCy3/PhPCy3-cat PhPCy3-cat_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	DEF2TZVP	-1277.6854366; Eh
	2-Sep-2023	/P_radicals/dippf/dippf dippf_tzvp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	DEF2TZVP	-2805.6430488; Eh
	9-Jun-2023	/HFIP_FES/HFIP hfip3_opt+freq	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	6-31+G(D,P) GENECP	-2367.51409698; Eh
	9-Jun-2023	/HFIP_FES/HFIP hfip2_opt+freq	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	6-31+G(D,P) GENECP	-1578.33778431; Eh
	9-Jun-2023	/HFIP_FES/HFIP hfip_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	GENECP	-789.5039685; Eh
	9-Jun-2023	/HFIP_FES/HFIP hfip2_sp	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	GENECP	-1579.0209923; Eh
	9-Jun-2023	/HFIP_FES/HFIP hfip_opt+freq	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	6-31+G(D,P) GENECP	-789.162131178; Eh
	9-Jun-2023	/DCM_FES/G_AuIPrpropyne AuIPrpropyne_opt+freq_dcm	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	6-31+G(D,P) SDD GENECP	-1410.60971652; Eh
	9-Jun-2023	/HFIP_FES/propyne propyne_opt+freq	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	6-31+G(D,P) GENECP	-116.501167506; Eh

Results 11-20 of 60 (Search time: 0.001 seconds).