Hydrogen bonding in water has been studied by employing the extended Hückel (EHT) and semi-empirical LCAOSCF(CN DO/2) methods. The hydrogen bond energy as well as proton potential function have been calculated.
Ziwei Wang, Anupam Bhattacharya, M. Yagmurcukardes, Vasyl G. Kravets, Pablo Díaz Núñez, Ciaran Mullan, Ivan Timokhin, Takashi Taniguchi, Kenji Watanabe, A. N. Grigorenko, F. M. Peeters, Konstantin ‘kostya’ Novoselov, Qian Yang, Artem Mishchenko
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