%0 Journal Article %T Quantum Mechanical Studies on the Mode of Hydrogen Bonding, Stability and Molecular Conformations of Phenol-Water Complexes %A Mrinal Jyoti Bezbaruah %A Shruti Sharma %A Benzir Ahmed %A Bipul Bezbaruah %J Computational Chemistry %P 59-71 %@ 2332-5984 %D 2019 %I Scientific Research Publishing %R 10.4236/cc.2019.73005 %X It is experimentally well established that the phenolic systems such as phenol and diphenols undergo strong hydrogen bonding interaction with water molecule. But, the possible mode hydrogen bonding in phenol-water systems may be of different types. Although, the experimental methods are not always well enough to give the proper hydrogen bonding conformations in the phenol-water complexes. The hydrogen bonding ability in phenol-water systems can directly be influenced by changing the interacting sites in the given molecular systems, which could be investigated by theoretical studies. Generally, in phenol-water system, the hydrogen bonding is taking place through −OH group of phenol with water molecule, and this kind of interactions between phenol-water and diphenol-water complexes have been extensively investigated in electronic ground state by Quantum Mechanical MP4 calculations. It is also very important to study the stability of different phenol-water complexes and to find out the proper phenol-water complexes with minimized interaction energy. This study will also be helpful for understanding the effect of hydrogen bonding interaction in a better way on other aromatic systems. %K Phenol %K Diphenol %K MP4 Method %K Hydrogen Bonding %U http://www.scirp.org/journal/PaperInformation.aspx?PaperID=93503