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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Jun-2024	/B12X11NH3/_B12Cl11_CH3NO___1__ B12Cl11CH3NO_051,3	Kawa, Sebastian	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-5531.73778473; Eh
	12-Jun-2024	/B12X11NH3/_B12Cl10_CH2NO__1__ B12Cl10CH2NO_078,4	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-5070.88787382; Eh
	12-Jun-2024	/B12X11NH3/_B12Cl11_CH2NO___2__ B12Cl11CH2NO_060,4	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-5531.16794428; Eh
	12-Jun-2024	/B12X11NH3/_B12Cl11_NH3___2__ B12Cl11NH3	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-5418.38391938; Eh
	12-Jun-2024	/B12X11NH3/_B12Cl11_CH3NO___1__ B12Cl11CH3NO_146,6	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-5531.69904060; Eh
	12-Jun-2024	/B12X11NH3/_B12Cl11_CH2NO___2__ B12Cl11CH2NO_038,2	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-5531.18139647; Eh
	12-Jun-2024	/B12X11NH3/_B12Cl11_CH3NO___1__ B12Cl11CH3NO_006,4	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-5531.75597764; Eh
	12-Jun-2024	/B12X11NH3/_HCN__0_ HCN	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-93.4440897607; Eh
	12-Jun-2024	/B12X11NH3/_HCl__0_ HCl	Kawa, Sebastian	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RB3LYP	DEF2TZVPP	-460.836840149; Eh

Results 71-79 of 79 (Search time: 0.002 seconds).