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Structure of zirconium tetrahydroborate Zr(BH4)4: A molecular dynamics study
Igoshkin A., Golovnev I., Krisyuk V., Igumenov I.
Helium, neon, and water
Malenkov G.
Proper and improper hydrogen bonds in liquid water
Voloshin V., Naberukhin Y.
Investigation of Lithium-Ion Diffusion in LiCoPO4 Cathode Material by Molecular Dynamics Simulation
Dehghan F., Mohammadi-Manesh H., Loghavi M.
Determination of the Boundary Surface Between the Lipid Bilayer and Water
Voloshin V., Kim A., Shelepova E., Medvedev N.
Role of the conservative interhelical hydrogen bond Ser74–Trp158 at the cholesterol binding site in the conformational stability of the β2-adrenergic receptor: Molecular dynamics simulation
Bogdan T., Alekseev E.
Molecular dynamics study of self-radiation damage in mineral matrices
Grechanovsky A., Urusov V., Eremin N.
Visualization of collective vortex-like motions in a computer model of liquid argon
Anikeenko A., Malenkov G., Naberukhin Y.
Molecular Dynamics Simulation Evaluating the Hydrophilicity of Nanowollastonite on Cellulose
Majidi R., Taghiyari H., Abdolmaleki D.
Deformation Behavior of Three-Dimensional Carbon Structures Under Hydrostatic Compression
Baimova J., Rysaeva L.
Parallel Computations in the Development of Thermostable Lipase Mutants
Kondratyev M., Kabanov A., Samchenko A., Komarov V., Khechinashvili N.
On the Problem of Criteria for Phase Transitions in Water Clusters (A Hexamer and Octamer Example)
Belega E., Elyutin P., Trubnikov D.
Topology of supramolecular structures in ethanol solutions
Tolmachev A., Klimov A., Anuchin K., Firsov D.
Halogen aggregation in chlorobenzene-o-dichlorobenzene solutions
Alekseev E., Bogdan T.
Molecular Dynamics Simulation of the Aging Process of the Cysteine-Silver Solution
Malyshev M., Baburkin P., Adamyan A., Khizhnyak S., Pakhomov P., Komarov P.
Graphene and Graphite Supports for Silicene Stabilization: A Computation Study
Galashev A., Rakhmanova O., Ivanichkina K.
A Molecular Dynamics Study of the Adsorption Equilibrium and Density Of Adsorbates
Tolmachev A., Anuchin K., Fomenkov P., Gumerov M.
Structure of liquid chlorobenzene in the temperature range 293-363 K
Alekseev E., Bogdan T.
Structure of small associates of glycyrrhizic acid with cholesterol in aqueous solution: Molecular dynamics simulation
Zelikman M., Kim A., Medvedev N.
Structure of Aqueous Solutions of Trimethylaminoxide, Urea, and Their Mixture
Kadtsyn E., Anikeenko A., Medvedev N.
Molecular dynamics simulations of defect formation in thin graphite films using the density functional tight-binding method
Shein I., Kuznetsov M., Enyashin A.
Local structure of ionic liquid–monohydric alcohol solutions
Atamas N.
Molecular Dynamics Study of the Deposition of Palladium-Silver Films on a Silver Substrate
Igoshkin A.
Molecular dynamics search for magic numbers for silver and copper clusters
Samsonov V., Vasilyev S., Samsonov M., Bembel A., Belotserkovskii A., Rybakov D.
Argon–water system at low temperatures
Malenkov G.
Simulation of glycyrrhizic acid associates with cholesterol in methanol
Anikeenko A., Zelikman M., Kadtsyn E., Medvedev N.
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