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Molecular Physicsжурнал

Статьи, опубликованные в журнале

• • 2024 Accurate neural-network-based fitting of full-dimensional N2–Ar and N2–CH4 two-body potential energy surfaces aimed at spectral simulations
  • Finenko Artem A.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), с. e2348110 DOI
• • 2024 Butyrylcholinesterase with altered catalytic triad, acting as a promising bioscavenger against organophosphorus agents
  • Blinova A.R., Masson P., Kulakova A.M., Grigorenko B.L.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom) DOI
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  • 2024 Manifestation of the normal intensity distribution law (NIDL) in the rovibrational emission spectrum of hydroxyl radical
  • Medvedev Emile S., Ermilov Aleksander Yu, Ushakov Vladimir G.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom) DOI
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  • 2023 A simplified Bixon–Jortner–Plotnikov method for fast calculation of radiationless transfer rates in symmetric molecules
  • Martynov A.I., Belov A.S., Nevolin V.K.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom) DOI
• • 2023 Effective Hamiltonian of Crystal Field Method for Periodic Systems Containing Transition Metals
  • Popov I., Plekhanov E., Tchougréeff A., Besley E.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 121, № 9-10 DOI
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  • 2023 Theoretical molecular spectroscopy of actinide compounds: the ThO molecule
  • Zaitsevskii A., Oleynichenko A.V., Eliav E.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), № 0, с. e2236246 DOI
• • 2021 Trapping and migration of P-state atoms in rare gas solids: effect of angular momentum anisotropy for model O(3P) and C(3P) atoms
  • Leibin I.V., Bezrukov D.S., Buchachenko A.A.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom) DOI
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  • 2020 Interplay between freezing and density anomaly in a confined core-softened fluid
  • Fomin Yu D., Ryzhov V.N., Tsiok E.N.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 118, № 15 DOI
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  • 2020 Rigorous vibrational Fermi resonance criterion revealed: two different approaches yield the same result
  • Krasnoshchekov S.V., Dobrolyubov E.O., Syzgantseva M.A., Palvelev R.V.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 118, № 11, с. 1-7 DOI
• • 2019 Momentum representation in the relativistic Jahn–Teller effect Gg[3/2]x(t2g+eg)
  • Osherov V.I., Poluyanov L.V., Ushakov V.G.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 118, № 1, с. e1587532 DOI
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  • 2019 The influence of random pinning on the melting scenario of two-dimensional soft-disk systems
  • Gaiduk E.A., Fomin Yu D., Tsiok E.N., Ryzhov V.N.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 117, № 20, с. 2910-2919 DOI
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  • 2019 Vibrational spectroscopy of tolane; Coriolis coupling between Raman-active modes of g symmetry
  • Craig Norman C., Krasnoshchekov Sergey V.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 117, № 9-12, с. 1059-1068 DOI
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  • 2018 Microwave rotational spectrum and ab initio computations on 4-cyanopyridine: molecular structure and hyperfine interactions
  • Vogt Natalja, Rajappan Nair K.P, Grabow Jens-Uwe, Demaison Jean
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 116, № 23-24, с. 3530-3537 DOI
• • 2018 Semiexperimental equilibrium structure of 1-methylisatin from gas-phase electron diffraction data and structural changes in isatin due to 1-methyl and 5-fluoro substituents as predicted by coupled cluster computations
  • Belyakov Alexander V., Nikolaenko Kirill O., Oskorbin Alexander A., Vogt Natalja, Rykov Anatolii N., Shishkov Igor F.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom) DOI
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  • 2018 Structural and Spectroscopic Features of Proton Hydrates in the Crystalline State. Solid-state DFT Study on HCl and Triflic Acid Hydrates
  • Vener M.V., Chernyshov I.Yu, Rykounov A.A., Filarowski A.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 116, № 2, с. 251-262 DOI
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  • 2018 Study of the In2O3 molecule in the free state and in the crystal
  • Kaplan I.G., Miranda U., Trakhtenberg L.I.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 116, № 5-6, с. 678-685 DOI
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  • 2018 The phase diagram and melting scenarios of two-dimensional Hertzian spheres
  • Fomin Yu D., Gaiduk E.A., Tsiok E.N., Ryzhov V.N.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 116, № 21-22, с. 3258-3270 DOI
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  • 2017 Determination of accurate semiexperimental equilibrium structure of proline using efficient transformations of anharmonic force fields among the series of isotopologues
  • Natalja Vogt, Jean Demaison, Krasnoshchekov Sergey V., Stepanov Nikolay F., Heinz Dieter Rudolph
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 115, № 8, с. 942-951 DOI
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  • 2016 Similarities between amorphous and microcrystalline forms of hydrogenated silicon from periodic DFT modeling: coupled Si-H vibrations in (SiH)X groups, X = 2-4
  • Rybakov A.A., Larin A.V.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 114, № 15, с. 2299-2304 DOI
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  • 2016 The behaviour of water and sodium chloride solution confined into asbestos nanotube
  • Fomin Yu D., Ryzhov V.N., Tsiok E.N.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 114, с. 2279-2288 DOI
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  • 2016 Two Theorems about C$_2$ and Some More
  • Tchougreeff, Andrei and Dronskowski, Richard
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 114, № 7-8: Special Issue in honour of Andreas Savin, с. 1423-1444 DOI
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  • 2015 Bonding in molecular crystals from the local electronic pressure viewpoint
  • Tsirelson Vladimir G., Stash Adam I., Tokatly Ilya V.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 114, № 7-8, с. 1260-1269
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  • 2015 Evidence for the purely electronic character of primary electron transfer in purple bacteria Rh. Sphaeroides
  • Glebov I.O., Poddubnyy V.V., Eremin V.V.
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 113, № 21, с. 3196-3201 DOI
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  • 2015 Molecular dynamics simulation of dielectric constant and cluster structure of liquid methanol: The role of cluster-cluster dipole correlations
  • Shilov I.Yu
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 113, № 6, с. 570-576 DOI
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  • 2014 Accurate equilibrium structures of fluoro- and chloroderivatives of methane
  • Vogt Natalja, Demaison Jean, Rudolph Heinz Dieter
  • в журнале Molecular Physics, издательство Taylor & Francis (United Kingdom), том 112, № 22, с. 2873-2883 DOI