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<article article-type="research-article" dtd-version="1.3" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xml:lang="ru"><front><journal-meta><journal-id journal-id-type="publisher-id">zhps</journal-id><journal-title-group><journal-title xml:lang="ru">Журнал прикладной спектроскопии</journal-title><trans-title-group xml:lang="en"><trans-title>Zhurnal Prikladnoii Spektroskopii</trans-title></trans-title-group></journal-title-group><issn pub-type="ppub">0514-7506</issn><publisher><publisher-name>B. I. Stepanov Institute of Physics of the National Academy of Sciences</publisher-name></publisher></journal-meta><article-meta><article-id custom-type="elpub" pub-id-type="custom">zhps-499</article-id><article-categories><subj-group subj-group-type="heading"><subject>Research Article</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="ru"><subject>***</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="en"><subject>***</subject></subj-group></article-categories><title-group><article-title>КВАНТОВО-ХИМИЧЕСКОЕ ИССЛЕДОВАНИЕ транс- и цис-ИЗОМЕРОВ ФЛУПЕНТИКСОЛА КАК НАНОПРЕПАРАТА</article-title><trans-title-group xml:lang="en"><trans-title>QUANTUM CHEMICAL INVESTIGATION OF trans- and cis-ISOMERS OF FLUPENTIXOL AS A NANO-DRUG</trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Saleh</surname><given-names>Z. А.</given-names></name><name name-style="western" xml:lang="en"><surname>Saleh</surname><given-names>Z. A.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Тегеран</p></bio><bio xml:lang="en"><p>Department of Pharmaceutical Chemistry, Faculty of Pharmaceutical Chemistry, Tehran Medical Sciences</p></bio><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Novir</surname><given-names>S. B.</given-names></name><name name-style="western" xml:lang="en"><surname>Novir</surname><given-names>S. B.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Тегеран</p></bio><bio xml:lang="en"><p>Department of Pharmaceutical Chemistry, Faculty of Pharmaceutical Chemistry, Tehran Medical Sciences</p></bio><email xlink:type="simple">sa_bagheri@chem.iust.ac.ir</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Balali</surname><given-names>E.</given-names></name><name name-style="western" xml:lang="en"><surname>Balali</surname><given-names>E.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Тегеран</p></bio><bio xml:lang="en"><p>Department of Pharmaceutical Chemistry, Faculty of Pharmaceutical Chemistry, Tehran Medical Sciences</p></bio><xref ref-type="aff" rid="aff-1"/></contrib></contrib-group><aff-alternatives id="aff-1"><aff xml:lang="ru"><institution>Исламский университет Азадa</institution></aff><aff xml:lang="en"><institution>Islamic Azad University</institution></aff></aff-alternatives><pub-date pub-type="collection"><year>2019</year></pub-date><pub-date pub-type="epub"><day>18</day><month>03</month><year>2020</year></pub-date><volume>86</volume><issue>6</issue><elocation-id>1007(1)-1007(10)</elocation-id><permissions><copyright-statement>Copyright &amp;#x00A9; Saleh Z.А., Novir S.B., Balali E., 2020</copyright-statement><copyright-year>2020</copyright-year><copyright-holder xml:lang="ru">Saleh Z.А., Novir S.B., Balali E.</copyright-holder><copyright-holder xml:lang="en">Saleh Z.A., Novir S.B., Balali E.</copyright-holder><license xml:lang="ru" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>Данная работа распространяется под лицензией Creative Commons Attribution 4.0.</license-p></license><license xml:lang="en" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>This work is licensed under a Creative Commons Attribution 4.0 License.</license-p></license></permissions><self-uri xlink:href="https://zhps.ejournal.by/jour/article/view/499">https://zhps.ejournal.by/jour/article/view/499</self-uri><abstract/><trans-abstract xml:lang="en"/><kwd-group xml:lang="ru"><kwd>флупентиксол</kwd><kwd>шизофрения</kwd><kwd>теория функционала плотности</kwd><kwd>электронные свойства</kwd></kwd-group><kwd-group xml:lang="en"><kwd>Flupentixol</kwd><kwd>schizophrenia</kwd><kwd>density functional theory</kwd><kwd>electronic properties</kwd></kwd-group></article-meta></front><back><ref-list><title>References</title><ref id="cit1"><label>1</label><citation-alternatives><mixed-citation xml:lang="ru">A. G. Goodman, L. S. Gilman, The Pharmacological Basis of Therapeutics, 1, 8 th ed., Pergamon Press, New York (1995).</mixed-citation><mixed-citation xml:lang="en">A. G. Goodman, L. S. Gilman, The Pharmacological Basis of Therapeutics, 1, 8 th ed., Pergamon Press, New York (1995).</mixed-citation></citation-alternatives></ref><ref id="cit2"><label>2</label><citation-alternatives><mixed-citation xml:lang="ru">S. Ruhrmann, W. Kissling, O.M. Lesch, M. Schmauss, U. Seemann, M. Philipp, Prog. Neuro- Psychopharmacol. Biol. Psychiatry, 31, 1012–1022 (2007).</mixed-citation><mixed-citation xml:lang="en">S. Ruhrmann, W. Kissling, O.M. Lesch, M. Schmauss, U. Seemann, M. Philipp, Prog. Neuro- Psychopharmacol. Biol. Psychiatry, 31, 1012–1022 (2007).</mixed-citation></citation-alternatives></ref><ref id="cit3"><label>3</label><citation-alternatives><mixed-citation xml:lang="ru">S. Walter, S. Bauer, I. Roots, J. Brockmoller, J. Chromatogr. B, 720, 231–237 (1998).</mixed-citation><mixed-citation xml:lang="en">S. Walter, S. Bauer, I. Roots, J. Brockmoller, J. Chromatogr. B, 720, 231–237 (1998).</mixed-citation></citation-alternatives></ref><ref id="cit4"><label>4</label><citation-alternatives><mixed-citation xml:lang="ru">A. A. Elbary, A. A. Ramadan, I. R. Bendas, D. A. E. Mostafa, Int. Res. J. Pharm., 2, No. 9, 58–64 (2011).</mixed-citation><mixed-citation xml:lang="en">A. A. Elbary, A. A. Ramadan, I. R. Bendas, D. A. E. Mostafa, Int. Res. J. Pharm., 2, No. 9, 58–64 (2011).</mixed-citation></citation-alternatives></ref><ref id="cit5"><label>5</label><citation-alternatives><mixed-citation xml:lang="ru">Z. Talebpour, S. Haghgoo, M. Shamsipur, Anal. Biochem., 323, 205–210 (2003).</mixed-citation><mixed-citation xml:lang="en">Z. Talebpour, S. Haghgoo, M. Shamsipur, Anal. Biochem., 323, 205–210 (2003).</mixed-citation></citation-alternatives></ref><ref id="cit6"><label>6</label><citation-alternatives><mixed-citation xml:lang="ru">S. Ulrich, J. Chromatogr. B, 668, 31–40 (1995).</mixed-citation><mixed-citation xml:lang="en">S. Ulrich, J. Chromatogr. B, 668, 31–40 (1995).</mixed-citation></citation-alternatives></ref><ref id="cit7"><label>7</label><citation-alternatives><mixed-citation xml:lang="ru">D. Yonara, M. M. Sunnetcioglu, Chem. Phys. Lipids, 198, 61–71 (2016).</mixed-citation><mixed-citation xml:lang="en">D. Yonara, M. M. Sunnetcioglu, Chem. Phys. Lipids, 198, 61–71 (2016).</mixed-citation></citation-alternatives></ref><ref id="cit8"><label>8</label><citation-alternatives><mixed-citation xml:lang="ru">V. Markovic, M. D. Joksovic, S.Markovic, I. Jakovljevic, J. Mol. Struct., 1058, 291–297 (2014).</mixed-citation><mixed-citation xml:lang="en">V. Markovic, M. D. Joksovic, S.Markovic, I. Jakovljevic, J. Mol. Struct., 1058, 291–297 (2014).</mixed-citation></citation-alternatives></ref><ref id="cit9"><label>9</label><citation-alternatives><mixed-citation xml:lang="ru">G. M. J. Beijersbergen van Henegouwen, Adv. Drug. Res., 29, 79–170 (1997).</mixed-citation><mixed-citation xml:lang="en">G. M. J. Beijersbergen van Henegouwen, Adv. Drug. Res., 29, 79–170 (1997).</mixed-citation></citation-alternatives></ref><ref id="cit10"><label>10</label><citation-alternatives><mixed-citation xml:lang="ru">A. A. Kaczor, K. M. Targowska-Duda, B. Budzyńska, G. Biała, A. G. Silva, M. Castro, Neurochem. Int., 96, 84–99 (2016).</mixed-citation><mixed-citation xml:lang="en">A. A. Kaczor, K. M. Targowska-Duda, B. Budzyńska, G. Biała, A. G. Silva, M. Castro, Neurochem. Int., 96, 84–99 (2016).</mixed-citation></citation-alternatives></ref><ref id="cit11"><label>11</label><citation-alternatives><mixed-citation xml:lang="ru">V. Krishnakumar, K. Murugeswari, N. Surumbarkuzhali, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 114, 410–420 (2013).</mixed-citation><mixed-citation xml:lang="en">V. Krishnakumar, K. Murugeswari, N. Surumbarkuzhali, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 114, 410–420 (2013).</mixed-citation></citation-alternatives></ref><ref id="cit12"><label>12</label><citation-alternatives><mixed-citation xml:lang="ru">Ö. Bağlayan, M. Fatih Kaya, E. Güneş, M. Şenyel, J. Mol. Struct., 1122, 324–330 (2016).</mixed-citation><mixed-citation xml:lang="en">Ö. Bağlayan, M. Fatih Kaya, E. Güneş, M. Şenyel, J. Mol. Struct., 1122, 324–330 (2016).</mixed-citation></citation-alternatives></ref><ref id="cit13"><label>13</label><citation-alternatives><mixed-citation xml:lang="ru">G. Mahalakshmi, V. Balachandran, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 131, 587–598 (2014)</mixed-citation><mixed-citation xml:lang="en">G. Mahalakshmi, V. Balachandran, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 131, 587–598 (2014)</mixed-citation></citation-alternatives></ref><ref id="cit14"><label>14</label><citation-alternatives><mixed-citation xml:lang="ru">P. Rajesh, S. Gunasekaran, T. Gnanasambandan, S. Seshadri, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 137, 1184–1193 (2015).</mixed-citation><mixed-citation xml:lang="en">P. Rajesh, S. Gunasekaran, T. Gnanasambandan, S. Seshadri, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 137, 1184–1193 (2015).</mixed-citation></citation-alternatives></ref><ref id="cit15"><label>15</label><citation-alternatives><mixed-citation xml:lang="ru">J. L. Waddington, S. J. Gamble, R. C. Bourne, Eur. J. Pharmacol., 69, 511–513 (1981).</mixed-citation><mixed-citation xml:lang="en">J. L. Waddington, S. J. Gamble, R. C. Bourne, Eur. J. Pharmacol., 69, 511–513 (1981).</mixed-citation></citation-alternatives></ref><ref id="cit16"><label>16</label><citation-alternatives><mixed-citation xml:lang="ru">J. Kim, J. H. Song, Eur. J. Pharmacol., 779, 31–37 (2016).</mixed-citation><mixed-citation xml:lang="en">J. Kim, J. H. Song, Eur. J. Pharmacol., 779, 31–37 (2016).</mixed-citation></citation-alternatives></ref><ref id="cit17"><label>17</label><citation-alternatives><mixed-citation xml:lang="ru">I. Pajeva, D. K. Todorov, J. Seydel, Eur. J. Pharm. Sci., 21, 243–250 (2004).</mixed-citation><mixed-citation xml:lang="en">I. Pajeva, D. K. Todorov, J. Seydel, Eur. J. Pharm. Sci., 21, 243–250 (2004).</mixed-citation></citation-alternatives></ref><ref id="cit18"><label>18</label><citation-alternatives><mixed-citation xml:lang="ru">T. Sokoließ, U. Menyes, U. Roth, T. Jira, J. Chromatogr. A, 948, 309–319 (2002).</mixed-citation><mixed-citation xml:lang="en">T. Sokoließ, U. Menyes, U. Roth, T. Jira, J. Chromatogr. A, 948, 309–319 (2002).</mixed-citation></citation-alternatives></ref><ref id="cit19"><label>19</label><citation-alternatives><mixed-citation xml:lang="ru">M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. Su, T. L. Windus, M. Dupuis, J. John, A. Montgomery, J. Comput. Chem., 14, 1347–1363 (1993).</mixed-citation><mixed-citation xml:lang="en">M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. Su, T. L. Windus, M. Dupuis, J. John, A. Montgomery, J. Comput. Chem., 14, 1347–1363 (1993).</mixed-citation></citation-alternatives></ref><ref id="cit20"><label>20</label><citation-alternatives><mixed-citation xml:lang="ru">M. Cossi, N. Rega, G. Scalmani, V. Barone, J. Comput. Chem., 24, 669–681 (2003).</mixed-citation><mixed-citation xml:lang="en">M. Cossi, N. Rega, G. Scalmani, V. Barone, J. Comput. Chem., 24, 669–681 (2003).</mixed-citation></citation-alternatives></ref><ref id="cit21"><label>21</label><citation-alternatives><mixed-citation xml:lang="ru">M. Cossi, V. Barone, R. Cammi, J. Tomasi, Chem. Phys. Lett., 255, 327–335 (1996).</mixed-citation><mixed-citation xml:lang="en">M. Cossi, V. Barone, R. Cammi, J. Tomasi, Chem. Phys. Lett., 255, 327–335 (1996).</mixed-citation></citation-alternatives></ref><ref id="cit22"><label>22</label><citation-alternatives><mixed-citation xml:lang="ru">V. Barone, M. Cossi, J. Phys. Chem. A, 102, 1995–2001 (1998).</mixed-citation><mixed-citation xml:lang="en">V. Barone, M. Cossi, J. Phys. Chem. A, 102, 1995–2001 (1998).</mixed-citation></citation-alternatives></ref><ref id="cit23"><label>23</label><citation-alternatives><mixed-citation xml:lang="ru">P. Hohenberg, W. Kohn, Phys. Rev., 136B, 864–871 (1964).</mixed-citation><mixed-citation xml:lang="en">P. Hohenberg, W. Kohn, Phys. Rev., 136B, 864–871 (1964).</mixed-citation></citation-alternatives></ref><ref id="cit24"><label>24</label><citation-alternatives><mixed-citation xml:lang="ru">C. T. Lee, W. T. Yang, R. G. Parr, Phys. Rev., 37B, 785–789 (1988).</mixed-citation><mixed-citation xml:lang="en">C. T. Lee, W. T. Yang, R. G. Parr, Phys. Rev., 37B, 785–789 (1988).</mixed-citation></citation-alternatives></ref><ref id="cit25"><label>25</label><citation-alternatives><mixed-citation xml:lang="ru">R. G. Parr, W. Yang, Ann. Rev. Phys. Chem., 46, 701–728 (1995).</mixed-citation><mixed-citation xml:lang="en">R. G. Parr, W. Yang, Ann. Rev. Phys. Chem., 46, 701–728 (1995).</mixed-citation></citation-alternatives></ref><ref id="cit26"><label>26</label><citation-alternatives><mixed-citation xml:lang="ru">A. D. Becke, J. Chem. Phys., 98, 5648–5652 (1993).</mixed-citation><mixed-citation xml:lang="en">A. D. Becke, J. Chem. Phys., 98, 5648–5652 (1993).</mixed-citation></citation-alternatives></ref><ref id="cit27"><label>27</label><citation-alternatives><mixed-citation xml:lang="ru">S. Bagheri Novir, S. M. Hashemianzadeh, Mol. Phys., 114, 650–662 (2016).</mixed-citation><mixed-citation xml:lang="en">S. Bagheri Novir, S. M. Hashemianzadeh, Mol. Phys., 114, 650–662 (2016).</mixed-citation></citation-alternatives></ref><ref id="cit28"><label>28</label><citation-alternatives><mixed-citation xml:lang="ru">S. Bagheri Novir, S. M. Hashemianzadeh, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 143, 20–34 (2015).</mixed-citation><mixed-citation xml:lang="en">S. Bagheri Novir, S. M. Hashemianzadeh, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 143, 20–34 (2015).</mixed-citation></citation-alternatives></ref><ref id="cit29"><label>29</label><citation-alternatives><mixed-citation xml:lang="ru">C. R. Zhang, L. Liu, Z. J. Liu, Y. L. Shen, Y. T. Sun, Y. Z. Wu, Y. H. Chen, L. H. Yuan, W. Wang, H. S. Chen, J. Mol. Graph. Model., 38, 419–429 (2012).</mixed-citation><mixed-citation xml:lang="en">C. R. Zhang, L. Liu, Z. J. Liu, Y. L. Shen, Y. T. Sun, Y. Z. Wu, Y. H. Chen, L. H. Yuan, W. Wang, H. S. Chen, J. Mol. Graph. Model., 38, 419–429 (2012).</mixed-citation></citation-alternatives></ref><ref id="cit30"><label>30</label><citation-alternatives><mixed-citation xml:lang="ru">C. R. Zhang, Z. J. Liu, Y. H. Chen, H. S. Chen, Y. Z. Wu, L. H. Yuan, J. Mol. Struct. (THEOCHEM), 899, 86–93 (2009).</mixed-citation><mixed-citation xml:lang="en">C. R. Zhang, Z. J. Liu, Y. H. Chen, H. S. Chen, Y. Z. Wu, L. H. Yuan, J. Mol. Struct. (THEOCHEM), 899, 86–93 (2009).</mixed-citation></citation-alternatives></ref><ref id="cit31"><label>31</label><citation-alternatives><mixed-citation xml:lang="ru">P. S. Kumar, K. Vasudevan, A. Prakasam, M. Geetha, P. M. Anbarasan, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 77, 45–50 (2010).</mixed-citation><mixed-citation xml:lang="en">P. S. Kumar, K. Vasudevan, A. Prakasam, M. Geetha, P. M. Anbarasan, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 77, 45–50 (2010).</mixed-citation></citation-alternatives></ref><ref id="cit32"><label>32</label><citation-alternatives><mixed-citation xml:lang="ru">S. Xavier, S. Periandy, S. Ramalingam, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 137, 306–320 (2015).</mixed-citation><mixed-citation xml:lang="en">S. Xavier, S. Periandy, S. Ramalingam, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 137, 306–320 (2015).</mixed-citation></citation-alternatives></ref><ref id="cit33"><label>33</label><citation-alternatives><mixed-citation xml:lang="ru">Y. J. Jiang, Z. Liu, H. Liu, W. Y. Cui, N. Wang, D. Liu, X. W. Ge, Chin. Sci. Bull., 57, No. 34, 4448–4452 (2012).</mixed-citation><mixed-citation xml:lang="en">Y. J. Jiang, Z. Liu, H. Liu, W. Y. Cui, N. Wang, D. Liu, X. W. Ge, Chin. Sci. Bull., 57, No. 34, 4448–4452 (2012).</mixed-citation></citation-alternatives></ref><ref id="cit34"><label>34</label><citation-alternatives><mixed-citation xml:lang="ru">L. Sinha, M. Karabacak, V. Narayan, M. Cinar, O. Prasad, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 109, 298–307 (2013).</mixed-citation><mixed-citation xml:lang="en">L. Sinha, M. Karabacak, V. Narayan, M. Cinar, O. Prasad, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 109, 298–307 (2013).</mixed-citation></citation-alternatives></ref><ref id="cit35"><label>35</label><citation-alternatives><mixed-citation xml:lang="ru">N. R. Sheela, S. Muthu, S. Sampathkrishnan, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 120, 237–251 (2014).</mixed-citation><mixed-citation xml:lang="en">N. R. Sheela, S. Muthu, S. Sampathkrishnan, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 120, 237–251 (2014).</mixed-citation></citation-alternatives></ref><ref id="cit36"><label>36</label><citation-alternatives><mixed-citation xml:lang="ru">T. A. Koopmans, Physica, 1, 104–113 (1934).</mixed-citation><mixed-citation xml:lang="en">T. A. Koopmans, Physica, 1, 104–113 (1934).</mixed-citation></citation-alternatives></ref><ref id="cit37"><label>37</label><citation-alternatives><mixed-citation xml:lang="ru">R. G. Pearson, J. Am. Chem. Soc., 85, 3533–3539 (1963).</mixed-citation><mixed-citation xml:lang="en">R. G. Pearson, J. Am. Chem. Soc., 85, 3533–3539 (1963).</mixed-citation></citation-alternatives></ref><ref id="cit38"><label>38</label><citation-alternatives><mixed-citation xml:lang="ru">X. Zarate, E. Schott, T. Gomez, R. Arratia-Perez, J. Phys. Chem. A, 117, 430–438 (2013).</mixed-citation><mixed-citation xml:lang="en">X. Zarate, E. Schott, T. Gomez, R. Arratia-Perez, J. Phys. Chem. A, 117, 430–438 (2013).</mixed-citation></citation-alternatives></ref><ref id="cit39"><label>39</label><citation-alternatives><mixed-citation xml:lang="ru">R. G. Parr, R. A. Donnelly, M. Levy, W. E. Palke, J. Chem. Phys., 68, 3801–3807 (1978).</mixed-citation><mixed-citation xml:lang="en">R. G. Parr, R. A. Donnelly, M. Levy, W. E. Palke, J. Chem. Phys., 68, 3801–3807 (1978).</mixed-citation></citation-alternatives></ref><ref id="cit40"><label>40</label><citation-alternatives><mixed-citation xml:lang="ru">A. Srivastava, P. Rawat, P. Tandon, R. N. Singh, Comput. Theor. Chem., 993, 80–89 (2012).</mixed-citation><mixed-citation xml:lang="en">A. Srivastava, P. Rawat, P. Tandon, R. N. Singh, Comput. Theor. Chem., 993, 80–89 (2012).</mixed-citation></citation-alternatives></ref><ref id="cit41"><label>41</label><citation-alternatives><mixed-citation xml:lang="ru">V. Balachandran, S. Rajeswari, S. Lalitha, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 124, 277–284 (2014).</mixed-citation><mixed-citation xml:lang="en">V. Balachandran, S. Rajeswari, S. Lalitha, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 124, 277–284 (2014).</mixed-citation></citation-alternatives></ref><ref id="cit42"><label>42</label><citation-alternatives><mixed-citation xml:lang="ru">R. G. Parr, L.V. Szentpaly, S. Liu, J. Am. Chem. Soc., 121, 1922–1924 (1999).</mixed-citation><mixed-citation xml:lang="en">R. G. Parr, L.V. Szentpaly, S. Liu, J. Am. Chem. Soc., 121, 1922–1924 (1999).</mixed-citation></citation-alternatives></ref><ref id="cit43"><label>43</label><citation-alternatives><mixed-citation xml:lang="ru">H. Tanak, M. Toy, J. Mol. Struct., 1068, 189–197 (2014).</mixed-citation><mixed-citation xml:lang="en">H. Tanak, M. Toy, J. Mol. Struct., 1068, 189–197 (2014).</mixed-citation></citation-alternatives></ref><ref id="cit44"><label>44</label><citation-alternatives><mixed-citation xml:lang="ru">Y. Shyma Mary, P. J. Jojo, C. Van Alsenoy, M. Kaur, M. S. Siddegowda, H. S. Yathirajan, H. I. S. Nogueira, S. M. A. Cruz, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 120, 370–380 (2014).</mixed-citation><mixed-citation xml:lang="en">Y. Shyma Mary, P. J. Jojo, C. Van Alsenoy, M. Kaur, M. S. Siddegowda, H. S. Yathirajan, H. I. S. Nogueira, S. M. A. Cruz, Spectrochim. Acta A: Mol. Biomol. Spectrosc., 120, 370–380 (2014).</mixed-citation></citation-alternatives></ref><ref id="cit45"><label>45</label><citation-alternatives><mixed-citation xml:lang="ru">P. Politzer, P. R. Laurence, K. Jayasuriya, Health Persp., 61, 191–202 (1985).</mixed-citation><mixed-citation xml:lang="en">P. Politzer, P. R. Laurence, K. Jayasuriya, Health Persp., 61, 191–202 (1985).</mixed-citation></citation-alternatives></ref><ref id="cit46"><label>46</label><citation-alternatives><mixed-citation xml:lang="ru">J. Bevan Ott, J. Boerio-Goates, Calculations from Statistical Thermodynamics, Academic Press (2000).</mixed-citation><mixed-citation xml:lang="en">J. Bevan Ott, J. Boerio-Goates, Calculations from Statistical Thermodynamics, Academic Press (2000).</mixed-citation></citation-alternatives></ref></ref-list><fn-group><fn fn-type="conflict"><p>The authors declare that there are no conflicts of interest present.</p></fn></fn-group></back></article>
