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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Jun-2023	/HFIP_FES/TS2_hfip TS2_sp_hfip	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	GENECP	-2544.2880272; Eh
	9-Jun-2023	/HFIP_FES/TS1_hfip TS1_sp_hfip	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	GENECP	-1871.3303815; Eh
	9-Jun-2023	/DCM_FES/A_AuClIPr+propyne AuClIPr+propyne_opt+freq_dcm	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	6-31+G(D,P) SDD GENECP	-1870.86631188; Eh
	9-Jun-2023	/DCM_FES/B_AuIPrpropyne+Cl AuIPrpropyne+Cl_opt+freq_dcm	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	6-31+G(D,P) SDD GENECP	-1870.84675385; Eh
	9-Jun-2023	/DCM_FES/1_AuClIPr AuClIPr_opt+freq_dcm	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	6-31+G(D,P) SDD GENECP	-1754.34819631; Eh
	9-Jun-2023	/DCM_FES/TS1_dcm TS1_opt+freq_dcm	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	6-31+G(D,P) SDD GENECP	-1870.84554775; Eh
	9-Jun-2023	/DCM_FES/A_AuClIPr+propyne AuClIPr+propyne_sp_dcm	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	GENECP	-1871.3782555; Eh
	9-Jun-2023	/DCM_FES/B_AuIPrpropyne+Cl AuIPrpropyne+Cl_sp_dcm	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	GENECP	-1871.355772; Eh
	9-Jun-2023	/DCM_FES/1_AuClIPr AuClIPr_sp_dcm	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RMN15	GENECP	-1754.8179159; Eh
	9-Jun-2023	/DCM_FES/Cl Cl_opt+freq_dcm	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	6-31+G(D,P) GENECP	-460.220619511; Eh

Results 41-50 of 170 (Search time: 0.001 seconds).