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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Nov-2022	/Open_system_calculations TS-37	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3595.5576784; Eh
	22-Nov-2022	/Endo_Nm TS-10	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3236.509125; Eh
	22-Nov-2022	/Benchmarking_for_Open_System 4a(-)_open_tpss_I	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSTPSS	DEF2SVP DEF2TZVP/GEN	-2955.213936; Eh
	22-Nov-2022	/Benchmarking_for_Open_System 4a(-)_open_b3lyp_II	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	DEF2TZVP	-2953.8792277; Eh
	22-Nov-2022	/Benchmarking_for_Open_System 4a(-)_open_tpss_II	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UTPSSTPSS	DEF2TZVP	-2954.2403492; Eh
	22-Nov-2022	/Benchmarking_for_Open_System 4a(-)_open_tpssh_II	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UTPSSh	DEF2TZVP	-2953.987258; Eh
	22-Nov-2022	/Open_system_calculations TS-38	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3142.5667632; Eh
	22-Nov-2022	/Open_system_calculations 4a-open	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-2953.8948011; Eh
	22-Nov-2022	/Open_system_calculations TS-36	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3142.0748051; Eh
	22-Nov-2022	/Endo_Nm TS-9	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3877.7037754; Eh

Results 91-100 of 115 (Search time: 0.002 seconds).