EVALUATION REPORT   on bachelor thesis of  Shtyrov Andrey Andreevich  «Computation of stabilization of donor-acceptor complexes of boron halides in polar solvents»  	Bachelor thesis of Andrey Andreevich Shtyrov is devoted to elucidate the influence of the solvent on structural and energetic characteristics of molecular complexes of boron halides.  Thesis is written on 33 pages and contains 13 Tables and 9 Figures.   	In small review of the literature, author considers some works on quantum-chemical studies of donor-acceptor complexes of boron halides.  It should be mentioned that information is incomplete, important works of Frenking and Leopold have been omitted.  In chapter 2.1 important information about solvent properties, such as Gutmann donor number, dielectric permittivity, dipole moment, is missing.   	A. A. Shtyrov carried out large body of quantum chemical computations.  Chosen method M06X and basis set cc-pVTZ are adequate to achieve the desired goals.  A. A. Shtyrov optimized geometries of molecular complexes of BF3 and BCl3 with several Lewis bases both in the gas phase and in diethyl sulfide and acetonitrile solutions, carried out computations of complex stabilization energy in polar solvents and performed analysis of the nature of the chemical bond in the complexes. In order to clarify the ligand-solvent exchange mechanism, A. A. Shtyrov performed approximate scan of the potential energy surface (restricting optimization by 5-7 steps), however, he uses obtained estimated data as activation barrier.  It would be better to optimize the transition state, taking as the starting point approximate geometry obtained from the scan, and perform IRC scan.  	Text is lapidary, more than 40% of thesis body are Figures and Tables, however, only the small portion of results is discussed in the text.  Comparison of obtained results with either experimental or computational results of other authors is absent.   	Text contains many errors and typos, for example: In Table 2,3 captions it is noted that total electronic energy and enthalpy are given in kJ/mol, which is not true: the actual values are in Hartree. It is not mentioned to which temperature enthalpy values correspond.   Typos in Table 4,5,6,7 captions; typo in conclusion 1.  The choice of values at X-axis on Figure 6 is surprising.    On Figure 8 caption the system C4H10O•BF3+C4H10O is indicated, but at the same time the bond distance B-S is used, although sulfur atoms are absent in this system. The same inaccuracy author repeats in Figure 9 caption for the system C4H10O•BCl3+CH3CN. Meaning of the sentence on page 29, lines 3-4 from bottom is not clear.  	Scientific novelty of the bachelor thesis is questionable. All four conclusions reached have been described in the literature.   	Noted deficiencies lower the level of bachelor thesis of A. A. Shtyrov. In my opinion, bachelor thesis of A. A. Shtyrov deserves the mark “good”.    Associate Professor	         				A.Y. Timoshkin