Nikitin AV - Search Results

1

A numerical-tensorial "hybrid" nuclear motion Hamiltonian and dipole moment operator for spectra calculation of polyatomic nonrigid molecules.

Rey M, Viglaska D, Egorov O, Nikitin AV. Rey M, et al. Among authors: nikitin av. J Chem Phys. 2023 Sep 21;159(11):114103. doi: 10.1063/5.0166657. J Chem Phys. 2023. PMID: 37712781

2

Accurate ab initio potential energy surface, rovibrational energy levels and resonance interactions of triplet (

\tilde{X}

³ B₁ ) methylene.

Egorov O, Rey M, Viglaska D, Nikitin AV. Egorov O, et al. Among authors: nikitin av. J Comput Chem. 2024 Jan 15;45(2):83-100. doi: 10.1002/jcc.27220. Epub 2023 Sep 8. J Comput Chem. 2024. PMID: 37681560

3

Analysis of experimental spectra of phosphine in the Tetradecad range near 2.3 μm using ab initio calculations.

Nikitin AV, Campargue A, Protasevich AE, Rey M, Sung K, Tyuterev VG. Nikitin AV, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2023 Dec 5;302:122896. doi: 10.1016/j.saa.2023.122896. Epub 2023 May 25. Spectrochim Acta A Mol Biomol Spectrosc. 2023. PMID: 37331254

4

New Theoretical Infrared Line List for the Methyl Radical with Accurate Vibrational Band Origins from High-Level Ab Initio Calculations.

Egorov O, Rey M, Nikitin AV, Viglaska D. Egorov O, et al. Among authors: nikitin av. J Phys Chem A. 2022 Sep 22;126(37):6429-6442. doi: 10.1021/acs.jpca.2c04822. Epub 2022 Sep 7. J Phys Chem A. 2022. PMID: 36073030

5

New Ab Initio Potential Energy Surfaces for NH₃ Constructed from Explicitly Correlated Coupled-Cluster Methods.

Egorov O, Rey M, Nikitin AV, Viglaska D. Egorov O, et al. Among authors: nikitin av. J Phys Chem A. 2021 Dec 16;125(49):10568-10579. doi: 10.1021/acs.jpca.1c08717. Epub 2021 Dec 7. J Phys Chem A. 2021. PMID: 34874738

6

Magnetic Properties of Bacterial Magnetosomes Produced by Magnetospirillum caucaseum SO-1.

Gareev KG, Grouzdev DS, Kharitonskii PV, Kirilenko DA, Kosterov A, Koziaeva VV, Levitskii VS, Multhoff G, Nepomnyashchaya EK, Nikitin AV, Nikitina A, Sergienko ES, Sukharzhevskii SM, Terukov EI, Trushlyakova VV, Shevtsov M. Gareev KG, et al. Among authors: nikitin av. Microorganisms. 2021 Aug 31;9(9):1854. doi: 10.3390/microorganisms9091854. Microorganisms. 2021. PMID: 34576748 Free PMC article.

7

Towards a complete elucidation of the ro-vibrational band structure in the SF₆ infrared spectrum from full quantum-mechanical calculations.

Rey M, Chizhmakova IS, Nikitin AV, Tyuterev VG. Rey M, et al. Among authors: nikitin av. Phys Chem Chem Phys. 2021 Jun 2;23(21):12115-12126. doi: 10.1039/d0cp05727d. Phys Chem Chem Phys. 2021. PMID: 34032236

8

Synthesis, inhibitory activity and oral dosing formulation of AV5124, the structural analogue of influenza virus endonuclease inhibitor baloxavir.

Ivashchenko AA, Mitkin OD, Jones JC, Nikitin AV, Koryakova AG, Karapetian RN, Kravchenko DV, Mochalov SV, Ryakhovskiy AA, Aladinskiy V, Leneva IA, Falynskova IN, Glubokova EA, Govorkova EA, Ivachtchenko AV. Ivashchenko AA, et al. Among authors: nikitin av. J Antimicrob Chemother. 2021 Mar 12;76(4):1010-1018. doi: 10.1093/jac/dkaa524. J Antimicrob Chemother. 2021. PMID: 33367751 Free PMC article.

9

Derivation of ρ-dependent coordinate transformations for nonrigid molecules in the Hougen-Bunker-Johns formalism.

Viglaska D, Rey M, Nikitin AV, Tyuterev VG. Viglaska D, et al. Among authors: nikitin av. J Chem Phys. 2020 Aug 28;153(8):084102. doi: 10.1063/5.0016365. J Chem Phys. 2020. PMID: 32872870

10

Non-rigid Diarylmethyl Analogs of Baloxavir as Cap-Dependent Endonuclease Inhibitors of Influenza Viruses.

Ivashchenko AA, Mitkin OD, Jones JC, Nikitin AV, Koryakova AG, Ryakhovskiy A, Karapetian RN, Kravchenko DV, Aladinskiy V, Leneva IA, Falynskova IN, Glubokova EA, Govorkova EA, Ivachtchenko AV. Ivashchenko AA, et al. Among authors: nikitin av. J Med Chem. 2020 Sep 10;63(17):9403-9420. doi: 10.1021/acs.jmedchem.0c00565. Epub 2020 Aug 17. J Med Chem. 2020. PMID: 32787099

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