A. Dyakov

First principles crystal engineering of nonlinear optical materials. I. Prototypical case of urea.

A. Bagaturyants, A. Masunov, A. Freidzon, 2017, The Journal of chemical physics.

Prediction of Crystal Structures and Mechanical Properties for Brittle, Plastic, and Elastic Polymorphs of 4-Bromophenyl 4-Bromobenzoate

A. Masunov, E. Bartashevich, A. Dyakov, 2022, Crystal Growth & Design.

RF annealing of the implantation‐induced defects in silicon using hydrogen plasma

P. Danesh, A. Dyakov, S. Kashchieva, 1984 .

Virtual Tensile Test for Brittle, Plastic, and Elastic Polymorphs of 4-Bromophenyl 4-Bromobenzoate

A. Masunov, E. Bartashevich, A. Dyakov, 2020 .

First-Principles Crystal Engineering of Nonlinear Optical Materials. II. Effect of Halogen Bonds on the Structure and Properties of Triiodobenzenes

A. Masunov, E. Bartashevich, I. Yushina, 2018, The Journal of Physical Chemistry C.

Toward First-Principles Design of Organic Nonlinear Optical Materials: Crystal Structure Prediction and Halogen Bonding Impact on Hyperpolarizabilities of 2-Iodo-3-hydroxypyridine

A. Masunov, E. Bartashevich, I. Yushina, 2018, Crystal Growth & Design.