During his academic career, Alexander Boldyrev worked on a wide range of topics related to quantum chemistry and physical chemistry. His works together with Paul von Ragué Schleyer were among the prediction of new way to achieve planar tetracoordinated carbon and participated in the first experimental conformation of such species in molecular beams with Prof. Lai-Sheng Wang. Dr. Boldyrev and Dr. Gutsev also developed the theory of superhalogens – molecules with high Electron affinity exceeding 7 eV in some cases (while the Electron affinity of halogens are 3-3.6 eV). In analogy to superhalogens, Boldyrev and Gutsev introduced superalkalis, species with extremely low Ionization potential, lower than that of a Caesium atom. Alexander Boldyrev together with Lai-Sheng Wang made a large contribution to the theory of chemical bonding, especially in the topic of Aromaticity and Antiaromaticity.