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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Nov-2022	/Activation_of_Catalyst 1a(-)	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-5621.0277082; Eh
	22-Nov-2022	/Activation_of_Catalyst 2a	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3046.7885962; Eh
	22-Nov-2022	/Activation_of_Catalyst 1a	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-5620.9351505; Eh
	22-Nov-2022	/Exo TS-29	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3689.0194788; Eh
	22-Nov-2022	/Activation_of_Catalyst 2a(+)-MeCN	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3179.5108777; Eh
	22-Nov-2022	/Exo TS-26	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3688.5346683; Eh
	22-Nov-2022	/Exo 8a(ex)	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3236.0610443; Eh
	22-Nov-2022	/Exo 4a(ex)	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3047.3862556; Eh
	22-Nov-2022	/Exo TS-28	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3236.0536668; Eh
	22-Nov-2022	/Exo TS-32	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3877.6876859; Eh

Results 41-50 of 99 (Search time: 0.001 seconds).