Multiscale modeling in nanophotonics: materials and simulations

por Bagaturyants, Alexander, Vener, Mikhail
Publicado 2017

Specific Proton-Donor Properties of Glycine Betaine. Metric Parameters and Enthalpy of Noncovalent Interactions in its Dimer, Water Complexes and Crystalline Hydrate

por Frolov, Nikita E., Shishkina, Anastasia V., Vener, Mikhail V.
Publicado 2023

High-Mobility Naphthalene Diimide Derivatives Revealed by Raman-Based In Silico Screening

por Vener, Mikhail V., Kharlanov, Oleg G., Sosorev, Andrey Yu.
Publicado 2022

Supramolecular Organization in Salts of Riluzole with Dihydroxybenzoic Acids—The Key Role of the Mutual Arrangement of OH Groups

por Voronin, Alexander P., Surov, Artem O., Churakov, Andrei V., Vener, Mikhail V.
Publicado 2023

Diclofenac Ion Hydration: Experimental and Theoretical Search for Anion Pairs

por Shishkina, Anastasia V., Ksenofontov, Alexander A., Penkov, Nikita V., Vener, Mikhail V.
Publicado 2022

Molecular Dynamics Simulation of Association Processes in Aqueous Solutions of Maleate Salts of Drug-like Compounds: The Role of Counterion

por Vener, Mikhail V., Makhrov, Denis E., Voronin, Alexander P., Shalafan, Daria R.
Publicado 2022

Crystalline Peroxosolvates: Nature of the Coformer, Hydrogen-Bonded Networks and Clusters, Intermolecular Interactions

por Medvedev, Alexander G., Churakov, Andrei V., Prikhodchenko, Petr V., Lev, Ovadia, Vener, Mikhail V.
Publicado 2020

Hypercoordinated Oligosilanes Based on Aminotrisphenols

por Aghazadeh Meshgi, Mohammad, Zaitsev, Kirill V., Vener, Mikhail V., Churakov, Andrei V., Baumgartner, Judith, Marschner, Christoph
Publicado 2018

Spectroscopic Identification of Hydrogen Bond Vibrations and Quasi-Isostructural Polymorphism in N-Salicylideneaniline

por Hetmańczyk, Łukasz, Goremychkin, Eugene A., Waliszewski, Janusz, Vener, Mikhail V., Lipkowski, Paweł, Tolstoy, Peter M., Filarowski, Aleksander
Publicado 2021

Fast Quantum Approach for Evaluating the Energy of Non-Covalent Interactions in Molecular Crystals: The Case Study of Intermolecular H-Bonds in Crystalline Peroxosolvates

por Medvedev, Alexander G., Churakov, Andrei V., Navasardyan, Mger A., Prikhodchenko, Petr V., Lev, Ovadia, Vener, Mikhail V.
Publicado 2022

Hydration of the Carboxylate Group in Anti-Inflammatory Drugs: ATR-IR and Computational Studies of Aqueous Solution of Sodium Diclofenac

por Levina, Elena O., Penkov, Nikita V., Rodionova, Natalia N., Tarasov, Sergey A., Barykina, Daria V., Vener, Mikhail V.
Publicado 2018

Combined X-ray Crystallographic, IR/Raman Spectroscopic, and Periodic DFT Investigations of New Multicomponent Crystalline Forms of Anthelmintic Drugs: A Case Study of Carbendazim...

por Voronin, Alexander P., Surov, Artem O., Churakov, Andrei V., Parashchuk, Olga D., Rykounov, Alexey A., Vener, Mikhail V.
Publicado 2020

Solving the enigma of weak fluorine contacts in the solid state: a periodic DFT study of fluorinated organic crystals

por Levina, Elena O., Chernyshov, Ivan Y., Voronin, Alexander P., Alekseiko, Leonid N., Stash, Adam I., Vener, Mikhail V.
Publicado 2019

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

por Melikova, Sona M., Voronin, Alexander P., Panek, Jaroslaw, Frolov, Nikita E., Shishkina, Anastasia V., Rykounov, Alexey A., Tretyakov, Peter Yu., Vener, Mikhail V.
Publicado 2020

Comparison of Proton Acceptor and Proton Donor Properties of H(2)O and H(2)O(2) in Organic Crystals of Drug-like Compounds: Peroxosolvates vs. Crystallohydrates

por Vener, Mikhail V., Churakov, Andrei V., Voronin, Alexander P., Parashchuk, Olga D., Artobolevskii, Sergei V., Alatortsev, Oleg A., Makhrov, Denis E., Medvedev, Alexander G., Filarowski, Aleksander
Publicado 2022