Výsledky vyhledávání - "Nikita E. Frolov"

Interplay of π-stacking and inter-stacking interactions in two-component crystals of neutral closed-shell aromatic compounds: periodic DFT study

Autor: Alexey A. Rykounov, Peter Yu. Tretyakov, Nikita E. Frolov, Alexander P. Voronin, Jarosław J. Panek, Mikhail V. Vener, Anastasia V. Shishkina, S.M. Melikova

Publikováno v: RSC advances. 10(47)

This paper bridges the gap between high-level ab initio computations of gas-phase models of 1 : 1 arene–arene complexes and calculations of the two-component (binary) organic crystals using atom–atom potentials. The studied crystals consist of el

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b3d674d84b1e76b3d6498483bea92a8
https://pubmed.ncbi.nlm.nih.gov/35519116

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