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Mulliken, NPA, MK and CHelpG population analyses have been accomplished at the level of MP2/6-31G(d,p) for the title system. The variations of four kinds of charges on NH_3 with intermolecular distance infer that electron transfers from NH_3 to H_2O. MK and CHelpG population analyses indicate more electron transfer than Mulliken and NPA ones. The atomic charges resulted from MK and CHelpG schemes infer that electron transfers from N in NH_3 to H in H_2O, which confirms that this bimolecular complex possesses linear structure as H_3N…HOH.
Mulliken, NPA, MK and CHelpG population analyzes have been accomplished at the level of MP2 / 6-31G (d, p) for the title system. The variations of four kinds of charges on NH_3 with intermolecular distance infer that electron transfers from NH_3 to H_2O. MK and CHelpG population analyzes indicate more electron transfer than Mulliken and NPA ones. The Atoms charges due from MK and CHelpG schemes infer that electron transfers from N in NH_3 to H in H_2O, which confirms that this bimolecular complex possesses linear structure as H_3N ... HOH.