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A method for calculating effective charges in the water molecule

  • Structure of Matter and Quantum Chemistry
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Abstract

A method for calculating the effective charges of the hydrogen, oxygen, and nitrogen atoms in the water and ammonia molecules in the crystalline state was developed.

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Authors and Affiliations

  1. Murmansk State Technical University, Murmansk, Russia

    D. N. Putintsev & N. M. Putintsev

Authors
  1. D. N. Putintsev
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  2. N. M. Putintsev
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Correspondence to N. M. Putintsev.

Additional information

Original Russian Text © D.N. Putintsev, N.M. Putintsev, 2009, published in Zhurnal Fizicheskoi Khimii, 2009, Vol. 83, No. 2, pp. 334–338.

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Putintsev, D.N., Putintsev, N.M. A method for calculating effective charges in the water molecule. Russ. J. Phys. Chem. 83, 265–269 (2009). https://doi.org/10.1134/S0036024409020204

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  • DOI: https://doi.org/10.1134/S0036024409020204

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