The work of A.A. Efimova lies in the field of spectral diagnostics of molecules capable of hydrogen bond formation. For the first time, in this work the possibility of using 3He atom as a probe for the electronic structure of proton donors and acceptors is considered. The main idea of the work is fully original and to a large extent it is a searching idea. The relevance of the topic is evident from the fact that in recent years a number of publications have appeared, in which various molecular partners are used to probe and to characterize proton donating and proton accepting properties of molecules. However, the usage of non-invasive (non-perturbing) probes, such as 3He atom, requires significant computational resources and the examples of such an approach are scarce. Within the framework of her work Alexandra has mastered methods and approaches of quantum-mechanical calculations using the Gaussian software package and other programs. She has also written a number of subroutines for the Matlab package for the processing and for the analysis of the acquired data. Alexandra has accumulated a significant body of computational results, including the detailed maps of van der Waals interaction energies and spectral parameters for the 3He complexes with FCCH, F2C=CFH, CHF3 molecules. The results of the work have been presented at two international conferences: “Science and Progress-2016” and “Mendeleev-2017”. Efimova participates in one of the RFBR grants as well. During her work Alexandra has established a reputation of an accurate and thoughtful researcher, she has also shown the ability to work independently and a critical approach to the obtained results. It is work mentioning that over the last two years Alexandra has passed 16 examinations with the mark “Excellent” and 3 examinations with the mark “Good”. The diploma thesis is written in a well-adjusted and accessible way, the structure of the text is well considered and carefully checked. One of the merits of the work is the high quality of the figures. The results of the calculations are discussed in detail, the conclusions are balanced and supported by the results. The work of Efimova satisfies all the requirements for the bachelor diploma theses.