Publication list - The laboratory of quantum photodynamics

79 entries « 1 of 2 »

2024

79.

Bochenkova A V

Multiconfigurational Methods Including XMCQDPT2 Theory for Excited States of Light-Sensitive Biosystems Book Chapter

In: Yáñez, Manuel; Boyd, Russell J. (Ed.): Comprehensive Computational Chemistry (First Edition), vol. 4, pp. 141-157, Elsevier, Oxford, First Edition, 2024, ISBN: 978-0-12-823256-9.

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2023

78.

Ostrovsky M A, Smitienko O A, Bochenkova A V, Feldman T B

Similarities and Differences in Photochemistry of Type I and Type II Rhodopsins Journal Article

In: Biochemistry (Moscow), vol. 88, no. 10, pp. 1528–1543, 2023, ISSN: 16083040.

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77.

Boichenko A N, Bochenkova A V

Calculating Vertical Ionization Energies of Hydrated Biological Chromophores Based on Multiconfigurational Perturbation Theory Journal Article

In: Russian Journal of Physical Chemistry A 2023 97:4, vol. 97, no. 4, pp. 763–767, 2023, ISSN: 1531-863X.

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76.

Sinenka H, Bruyakin Y, Zaitsevskii A, Isaev T, Bochenkova A V

Zwitterions Functionalized by Optical Cycling Centers: Toward Laser-Coolable Polyatomic Molecular Cations Journal Article

In: Journal of Physical Chemistry Letters, vol. 14, pp. 5784–5790, 2023, ISSN: 1948-7185.

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75.

Boichenko A N, Bochenkova A V

Accurate Vertical Electron Detachment Energies and Multiphoton Resonant Photoelectron Spectra of Biochromophore Anions in Aqueous Solution Journal Article

In: Journal of Chemical Theory and Computation, vol. 19, no. 13, pp. 4088-4099, 2023, (PMID: 37146177).

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74.

Robertson K, Fortune W G, Davies J A, Boichenko A, Scholz M S, Tau O, Bochenkova A V, Fielding H H

Wavelength dependent mechanism of phenolate photooxidation in aqueous solution Journal Article

In: Chemical Science, vol. 14, iss. 12, pp. 3257-3264, 2023.

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73.

Aslopovsky V R, Scherbinin A V, Kleshchina N N, Bochenkova A V

Impact of the Protein Environment on Two-Photon Absorption Cross-Sections of the GFP Chromophore Anion Resolved at the XMCQDPT2 Level of Theory Journal Article

In: International Journal of Molecular Sciences, vol. 24, no. 14, 2023, ISSN: 1422-0067.

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72.

Chaliy V A, Kelbysheva E S, Ezernitskaya M G, Strelkova T V, Bochenkova A V, Medvedev M G, Telegina L N

CO-Preserving Photoinduced Transfer of Cymantrenyl Moiety: a Tandem Experimental and Computational Investigation Journal Article

In: Chemistry – A European Journal, vol. 29, no. 29, pp. e202203949, 2023.

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71.

Andersen L H, Rasmussen A P, Pedersen H B, Beletsan O B, Bochenkova A V

High-Resolution Spectroscopy and Selective Photoresponse of Cryogenically Cooled Green Fluorescent Protein Chromophore Anions Journal Article

In: The Journal of Physical Chemistry Letters, vol. 14, no. 28, pp. 6395-6401, 2023, (PMID: 37428615).

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2022

70.

Bochenkova A V, Andersen L H

Action-Absorption Spectroscopy at the Band Origin of the Deprotonated Green Fluorescent Protein Chromophore In Vacuo Journal Article

In: J Phys Chem Lett, vol. 13, no. 29, pp. 6683–6685, 2022, ISSN: 1948-7185.

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69.

Bochenkov V E, Sopova N S, Shakhov A M, Astafiev A A, Bochenkova A V

Protein Mobility Measurements through Oxidative Green-to-Red Photoconversion of EGFP Journal Article

In: The Journal of Physical Chemistry B, vol. 126, iss. 23, pp. 4184–4188, 2022.

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68.

Rasmussen A P, Teiwes R, Farkhutdinova D A, Bochenkova A V, Andersen L H

On the temperature of large biomolecules in ion-storage rings Journal Article

In: The European Physical Journal D, vol. 76, no. 5, pp. 76, 2022.

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67.

Gruber E, Kabylda A M, Nielsen M B, Rasmussen A P, Teiwes R, Kusochek P A, Bochenkova A V, Andersen L H

Light Driven Ultrafast Bioinspired Molecular Motors: Steering and Accelerating Photoisomerization Dynamics of Retinal Journal Article

In: Journal of the American Chemical Society, vol. 144, no. 1, pp. 69–73, 2022.

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66.

Tau O, Henley A, Boichenko A N, Kleshchina N N, Riley R, Wang B, Winning D, Lewin R, Parkin I P, Ward J M, Hailes H C, Bochenkova A V, Fielding H H

Liquid-microjet photoelectron spectroscopy of the green fluorescent protein chromophore Journal Article

In: Nature communications, vol. 13, no. 1, pp. 507, 2022, ISSN: 2041-1723.

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65.

Finenko A A, Bézard B, Gordon I E, Chistikov D N, Lokshtanov S E, Petrov S V, Vigasin A A

Trajectory-based Simulation of Far-infrared Collision-induced Absorption Profiles of CH4–N2 for Modeling Titan’s Atmosphere Journal Article

In: The Astrophysical Journal Supplement Series, vol. 258, no. 2, pp. 33, 2022.

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64.

Sokolov A I, Sycheva M A, Farkhutdinova D A, Myasnyanko I N, Mikhaylov A A, Baleeva N S, Bochenkova A V, Baranov M S

Fluorescent 2-Hydroxy-3-(pyridin-2-yl)-4H-quinolizin-4-ones through Dimerization of Pyridineacetic Acids Journal Article

In: European Journal of Organic Chemistry, vol. 2022, no. 30, pp. e202200680, 2022.

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2021

63.

Lambo R, Xu C -Y, Pratt S T, Xu H, Zappala J C, Bailey K G, Lu Z -T, Mueller P, O’Connor T P, Kamorzin B B, Bezrukov D S, Xie Y -Q, Buchachenko A A, Singh J T

High-resolution spectroscopy of neutral Yb atoms in a solid Ne matrix Journal Article

In: Phys. Rev. A, vol. 104, iss. 6, pp. 062809, 2021.

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62.

Sinenko G D, Farkhutdinova D A, Myasnyanko I N, Baleeva N S, Baranov M S, Bochenkova A V

Designing red-shifted molecular emitters based on the annulated locked GFPchromophore derivatives Journal Article

In: International Journal of Molecular Sciences, vol. 22, no. 24, pp. 13645, 2021.

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61.

Kusochek P A, Logvinov V V, Bochenkova A V

Role of the Protein Environment in Photoisomerization of Type I and Type II Rhodopsins: a Theoretical Perspective Journal Article

In: Moscow University Chemistry Bulletin, vol. 76, no. 6, pp. 407-416, 2021.

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60.

Woodhouse J L, Henley A, Lewin R, Ward J M, Hailes H C, Bochenkova A V, Fielding H H

A photoelectron imaging study of the deprotonated GFP chromophore anion and RNA fluorescent tags Journal Article

In: Physical Chemistry Chemical Physics, vol. 23, no. 35, pp. 19911-19922, 2021.

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59.

Langeland J, Persen N W, Gruber E, Kiefer H V, Kabylda A M, Bochenkova A V, Andersen L H

Controlling Light-Induced Proton Transfer from the GFP Chromophore Journal Article

In: ChemPhysChem, vol. 22, no. 9, pp. 833-841, 2021.

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58.

Kusochek P A, Scherbinin A V, Bochenkova A V

Insights into the Early-Time Excited-State Dynamics of Structurally Inhomogeneous Rhodopsin KR2 Journal Article

In: Journal of Physical Chemistry Letters, pp. 8664-8671, 2021.

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57.

Ivanenkov Y A, Filyaeva K Y, Matniyazov R T, Baymiev A K, Vladimirova A A, Yamidanov R S, Mavzyutov A R, Zileeva Z R, Zainullina L F, Vakhitova J V, Marina V I, Terentiev V A, Osterman I A, Kartsev V G, Bezrukov D S, Dontsova O A

Antibacterial activity of noscapine analogs Journal Article

In: Bioorganic and Medicinal Chemistry Letters, vol. 43, no. 4, pp. 128055, 2021, ISSN: 1464-3405; 0960-894X.

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56.

Ozerov G K, Bezrukov D S, Buchachenko A A

Generic accommodations of an atom in the Lennard-Jones fcc and hcp rare-gas solids: A computational study Journal Article

In: Physical Review B, vol. 103, pp. 184110, 2021, ISSN: 0163-1829; 2469-9950; 2469-9969; 1098-0121.

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55.

Leibin I V, Kalinina I S, Bezrukov D S, Buchachenko A A

Modeling of the thermal migration mechanisms of atomic oxygen in Ar, Kr, and Xe crystals Journal Article

In: Journal of Chemical Physics, vol. 154, pp. 044305, 2021, ISSN: 1089-7690; 0021-9606.

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54.

Ozerov G K, Bezrukov D S, Buchachenko A A

Molecular dynamics simulations of the Ba+ ion mobility in liquid xenon Journal Article

In: Journal of Physics: Conference Series, vol. 1740, 2021, ISSN: 1742-6596; 1742-6588.

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53.

Pokhilko P, Bezrukov D S, Krylov A I

Is Solid Copper Oxalate a Spin Chain or a Mixture of Entangled Spin Pairs? Journal Article

In: Journal of Physical Chemistry C, vol. 125, pp. 7502, 2021, ISSN: 1932-7455; 1932-7447.

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52.

Leibin I V, Bezrukov D S, Buchachenko A A

Trapping and migration of P-state atoms in rare gas solids: effect of angular momentum anisotropy for model O(3P) and C(3P) atoms Journal Article

In: Molecular Physics, pp. e1995633, 2021, ISSN: 1362-3028; 0026-8976.

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51.

Odintsova T A, Serov E A, Balashov A A, Koshelev M A, Koroleva A O, Simonova A A, Tretyakov M Y, Filippov N N, Chistikov D N, Finenko A A, Lokshtanov S E, Petrov S V, Vigasin A A

CO2–CO2 and CO2–Ar continua at millimeter wavelengths Journal Article

In: Journal of Quantitative Spectroscopy and Radiative Transfer, vol. 258, pp. 107400–107400-10, 2021, ISSN: 0022-4073.

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50.

Chistikov D N, Finenko A A, Kalugina Y N, Lokshtanov S E, Petrov S V, Vigasin A A

Simulation of collision-induced absorption spectra based on classical trajectories and ab initio potential and induced dipole surfaces. II. CO2–Ar rototranslational band including true dimer contribution Journal Article

In: Journal of Chemical Physics, vol. 155, no. 6, pp. 064301-1–064301-17, 2021, ISSN: 1089-7690; 0021-9606.

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49.

Finenko A A, Chistikov D N, Kalugina Y N, Conway E K, Gordon I E

Fitting potential energy and induced dipole surfaces of the van der Waals complex CH4-N2 using non-product quadrature grids Journal Article

In: Physical Chemistry Chemical Physics, vol. 23, pp. 18475–18494, 2021, ISSN: 1463-9084; 1463-9076.

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2020

48.

Bochenkov V E, Lobanova E M, Shakhov A M, Astafiev A A, Bogdanov A M, Timoshenko V A, Bochenkova A V

Plasmon-enhanced fluorescence of EGFP on short-range ordered ag nanohole arrays Journal Article

In: Nanomaterials, vol. 10, no. 12, pp. 1-11, 2020.

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47.

Gorbachev D A, Petrusevich E F, Kabylda A M, Maksimov E G, Lukyanov K A, Bogdanov A M, Baranov M S, Bochenkova A V, Mishin A S

A General Mechanism of Green-to-Red Photoconversions of GFP Journal Article

In: Frontiers in Molecular Biosciences, vol. 7, 2020.

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46.

Anstöter C S, Mensa-Bonsu G, Nag P, Ranković M, P. R K T, Boichenko A N, Bochenkova A V, Fedor J, Verlet J R R

Mode-Specific Vibrational Autodetachment following Excitation of Electronic Resonances by Electrons and Photons Journal Article

In: Physical Review Letters, vol. 124, no. 20, 2020.

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45.

Veselov M S, Ivanenkov Y A, Yamidanov R S, Osterman I A, Sergiev P V, Aladinskiy V A, Aladinskaya A V, Terentiev V A, Ayginin A A, Skvortsov D A, Komarova K S, Chemeris A V, Baimiev A K, Sofronova A A, Machulkin A E, Petrov R A, Maklakova S Y, Bezrukov D S, Filkov G I, Zainullina L F, Maximova M A, Zileeva Z R, Kartsev V G, Vakhitova Y V, Dontsova O A

Identification of pyrrolo-pyridine derivatives as novel class of antibacterials Journal Article

In: Molecular Diversity, vol. 24, no. 1, pp. 233–239, 2020, ISSN: 1573-501X; 1381-1991.

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44.

Ivanenkov Y A, Osterman I A, Komarova E S, Bogdanov A A, Sergiev P V, Dontsova O A, Sofronova A A, Terentiev V A, Filkov G I, Yamidanov R S, Majouga A G, Bezrukov D S, Deyneka E V, Skvortsov D A

Tetrahydrocarbazoles as Novel Class of DNA Biosynthesis Inhibitors in Bacteria Journal Article

In: Anti-Infective Agents in Medicinal Chemistry, vol. 18, no. 2, pp. 121–127, 2020, ISSN: 1871-5214.

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43.

Tarakanova A S, Buchachenko A A, Bezrukov D S

Trapping sites of Li atom in the rare gascrystals Ar, Kr, and Xe: Analysis of stabilityand manifestation in the EPR spectra Journal Article

In: Low Temperature Physics, vol. 46, pp. 165–172, 2020, ISSN: 1090-6517; 1063-777X.

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42.

Serov E A, Balashov A A, Tretyakov M Y, Odintsova T A, Koshelev M A, Chistikov D N, Finenko A A, Lokshtanov S E, Petrov S V, Vigasin A A

Continuum absorption of millimeter waves in nitrogen Journal Article

In: Journal of Quantitative Spectroscopy and Radiative Transfer, vol. 242, pp. 106774–106774-9, 2020, ISSN: 0022-4073.

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41.

Petrov S V

Was Sommerfeld wrong? (To the history of the appearance of spin in relativistic wave equations) Journal Article

In: Physics Uspekhi, vol. 63, no. 7, 2020, ISSN: 1468-4780; 1063-7869.

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40.

Chistikov D N, Finenko A A, Kazakov K V

Coriolis effects in the rovibrational structure of an atom-diatom dimer Journal Article

In: Journal of Quantitative Spectroscopy and Radiative Transfer, vol. 245, pp. 106874, 2020, ISSN: 0022-4073.

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39.

Seleznev A O, Khrustov V F

Spin-tensor multireference first-order polarization propagator approximation in comparison with several multireference methods on the example of low-lying electronic states of the CH+ ion Journal Article

In: Computational and theoretical chemistry, vol. 1175, pp. 112733, 2020, ISSN: 2210-271X.

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38.

Xuanhao C, Krasnoshchekov S V, Pupyshev V I, Millionshchikov D V

Normal ordering of the su(1, 1) ladder operators for the quasi-number states of the Morse oscillator Journal Article

In: Physics Letters, Section A: General, Atomic and Solid State Physics, vol. 384, no. 19, pp. 126493, 2020, ISSN: 0375-9601.

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37.

Montgomery H E, Pupyshev V I

Dipole polarizability for confined two-electron atomic systems: simple approximations Journal Article

In: Physica Scripta, vol. 95, no. 1, pp. 015402, 2020, ISSN: 0281-1847; 1402-4896; 0031-8949.

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2019

36.

Zaitseva S O, Farkhutdinova D A, Baleeva N S, Smirnov A Y, Zagudaylova M B, Shakhov A M, Astafiev A A, Baranov M S, Bochenkova A V

Excited-state locked amino analogues of the green fluorescent protein chromophore with a giant Stokes shift Journal Article

In: RSC advances, vol. 9, no. 66, pp. 38730–38734, 2019, ISSN: 2046-2069.

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35.

Kiefer H V, Elisabeth G, Jeppe L, Kusochek P A, Bochenkova A V, Andersen L H

Intrinsic photoisomerization dynamics of protonated Schiff-base retinal Journal Article

In: Nature communications, vol. 10, pp. 1210-1–1210-9, 2019, ISSN: 2041-1723.

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34.

Koroleva L A, Abramenkov A V, Krasnoshchekov S V, Korolyova A V, Bochenkova A V

Potential functions of internal rotation of the methacryloyl fluoride molecule in the ground (S0) and excited (S1) electronic states Journal Article

In: Journal of Molecular Structure, vol. 1181, pp. 228–234, 2019, ISSN: 0022-2860.

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33.

Ivanenkov Y A, Yamidanov R S, Osterman I A, Sergiev P V, Aladinskiy V A, Aladinskaya A V, Terentiev V A, Veselov M S, Ayginin A A, Skvortsov D A, Komarova K S, Sadovnikov S V, Rustam M, Sofronova A A, Malyshev A S, Machulkin A E, Petrov R A, Dmitrii L, Svetlana I, Bezrukov D S, Baymiev A K, Dontsova O A

2-Pyrazol-1-yl-thiazole derivatives as novel highly potent antibacterials Journal Article

In: Journal of Antibiotics, vol. 72, pp. 827–833, 2019, ISSN: 1881-1469; 0021-8820.

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32.

Rutskoy B V, Bezrukov D S

Ab Initio Description of the Structure and Interaction Energy of Perhalomethane Dimers Journal Article

In: Russian Journal of Physical Chemistry A, vol. 93, no. 8, pp. 1519–1524, 2019, ISSN: 1531-863X; 0036-0244.

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31.

Bezrukov D S, Kleshchina N N, Kalinina I S, Buchachenko A A

Ab initio interaction potentials of the Ba, Ba+ complexes with Ar, Kr, and Xe in the lowest excited states Journal Article

In: Journal of Chemical Physics, vol. 150, no. 6, pp. 064314, 2019, ISSN: 1089-7690; 0021-9606.

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30.

Ozerov G K, Bezrukov D S, Buchachenko A A

Accommodation of a dimer in an Ar-like lattice: exploring the generic structural motifs Journal Article

In: Physical Chemistry Chemical Physics, vol. 21, pp. 16549–16563, 2019, ISSN: 1463-9084; 1463-9076.

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79 entries « 1 of 2 »

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