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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Nov-2022	/Small_Molecules CH3CN	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-132.8224555; Eh
	22-Nov-2022	/Small_Molecules CF3CH2OH	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP GEN	-452.9762147; Eh
	22-Nov-2022	/Small_Molecules Br(-)	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP GEN	-2574.23694545; Eh
	22-Nov-2022	/Small_Molecules CF3CH2OCO2(-)	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP GEN	-641.1794125; Eh
	22-Nov-2022	/Small_Molecules Fc	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-1651.0841395; Eh
	22-Nov-2022	/Small_Molecules H2O	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP GEN	-76.4668839; Eh
	22-Nov-2022	/Small_Molecules Fc(+)	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP	-1650.89717823; Eh
	22-Nov-2022	/Small_Molecules CO	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP	-113.220207791; Eh
	22-Nov-2022	/Activation_of_Catalyst 2a(+)	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3046.6631644; Eh
	22-Nov-2022	/Activation_of_Catalyst 2a(-)	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3046.8938079; Eh

Results 31-40 of 99 (Search time: 0.001 seconds).