TY - JOUR ID - 82192 TI - Quantum-chemical study of geometric and energy characteristics of some bases of shiff gossipol JO - Progress in Chemical and Biochemical Research JA - PCBR LA - en SN - 2676-7090 AU - Alisher, Khaitbaev Kh. AU - Khamza, Toshov S. AU - Ikbol, Yuldashev Sh. AD - Department Chemistry of natural compounds, Faculty of Chemistry National University of Uzbekistan, Tashkent. Uzbekistan Y1 - 2019 PY - 2019 VL - 2 IS - 1 SP - 1 EP - 5 KW - Gossypol KW - tautomeric forms KW - X-ray diffraction analysis KW - electron density KW - Energy characteristics KW - Semi empirical methods (RM1, PM6 and PM7) KW - MOPAC2012 KW - Transition barrier DO - 10.33945/SAMI/PCBR.2019.2.15 N2 - The most important aspect of modern chemistry lies in the fact that along with instrumental (physical) methods, computer modelling plays an increasing role in it. The role of molecular modelling in chemistry is quite large, despite the obvious priority of experimental research in this field of natural science. The most significant ones are theoretical results that are impossible, extremely difficult or too expensive to be obtained by experimental means. UR - https://www.pcbiochemres.com/article_82192.html L1 - https://www.pcbiochemres.com/article_82192_cb22c615b9e8376b7b71c92e84a94602.pdf ER -