Publication list - The laboratory of quantum photodynamics

@article{Boichenko2023,

title = {Calculating Vertical Ionization Energies of Hydrated Biological Chromophores Based on Multiconfigurational Perturbation Theory},

author = {A. N. Boichenko and A. V. Bochenkova},

url = {https://link.springer.com/article/10.1134/S0036024423040088},

doi = {10.1134/S0036024423040088},

issn = {1531-863X},

year  = {2023},

date = {2023-04-01},

journal = {Russian Journal of Physical Chemistry A 2023 97:4},

volume = {97},

number = {4},

pages = {763–767},

publisher = {Springer},

abstract = {Here we introduce a methodology for calculating vertical detachment energies (VDE) and vertical ionization energies (VIE) of anionic and neutral chromophores in aqueous environment. The proposed method is based on the extended multiconfigurational quasidegenerate perturbation theory coupled to the explicit treatment of solvent effects in the frame of the effective fragment potential method. We show that the solvent polarization contribution must be considered for getting accurate quantitative estimations of VDEs and VIEs. The calculated values of VDE for phenolate (7.3 eV) and VIE for phenol (7.9 eV) in aqueous environment are in good agreement with the experimental results obtained using X-ray and multiphoton UV photoelectron spectroscopy. Our approach will be useful for studying processes of photoinduced electron transfer from anionic as well as neutral biological chromophores in aqueous solution.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{D3SC00016H,

title = {Wavelength dependent mechanism of phenolate photooxidation in aqueous solution},

author = {Kate Robertson and William G. Fortune and Julia A. Davies and Anton N. Boichenko and Michael S. Scholz and Omri Tau and Anastasia V. Bochenkova and Helen H. Fielding},

url = {http://dx.doi.org/10.1039/D3SC00016H},

doi = {10.1039/D3SC00016H},

year  = {2023},

date = {2023-01-01},

urldate = {2023-01-01},

journal = {Chemical Science},

volume = {14},

issue = {12},

pages = {3257-3264},

publisher = {The Royal Society of Chemistry},

abstract = {Phenolate photooxidation is integral to a range of biological processes, yet the mechanism of electron ejection has been disputed. Here, we combine femtosecond transient absorption spectroscopy, liquid-microjet photoelectron spectroscopy and high-level quantum chemistry calculations to investigate the photooxidation dynamics of aqueous phenolate following excitation at a range of wavelengths, from the onset of the S0–S1 absorption band to the peak of the S0–S2 band. We find that for λ ≥ 266 nm, electron ejection occurs from the S1 state into the continuum associated with the contact pair in which the PhO˙ radical is in its ground electronic state. In contrast, we find that for λ ≤ 257 nm, electron ejection also occurs into continua associated with contact pairs containing electronically excited PhO˙ radicals and that these contact pairs have faster recombination times than those containing PhO˙ radicals in their ground electronic state.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{sinenka2023zwitterions568824647,

title = {Zwitterions Functionalized by Optical Cycling Centers: Toward Laser-Coolable Polyatomic Molecular Cations},

author = {Hryhory Sinenka and Yurii Bruyakin and Andrei Zaitsevskii and Timur Isaev and Anastasia V. Bochenkova},

doi = {10.1021/acs.jpclett.3c00904},

issn = {1948-7185},

year  = {2023},

date = {2023-01-01},

journal = {Journal of Physical Chemistry Letters},

volume = {14},

pages = {5784–5790},

publisher = {United States},

address = {United States},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{doi:10.1021/acs.jctc.2c01082,

title = {Accurate Vertical Electron Detachment Energies and Multiphoton Resonant Photoelectron Spectra of Biochromophore Anions in Aqueous Solution},

author = {Anton N. Boichenko and Anastasia V. Bochenkova},

url = {https://doi.org/10.1021/acs.jctc.2c01082},

doi = {10.1021/acs.jctc.2c01082},

year  = {2023},

date = {2023-01-01},

journal = {Journal of Chemical Theory and Computation},

volume = {19},

number = {13},

pages = {4088-4099},

note = {PMID: 37146177},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{ijms241411266,

title = {Impact of the Protein Environment on Two-Photon Absorption Cross-Sections of the GFP Chromophore Anion Resolved at the XMCQDPT2 Level of Theory},

author = {Vladislav R. Aslopovsky and Andrei V. Scherbinin and Nadezhda N. Kleshchina and Anastasia V. Bochenkova},

url = {https://www.mdpi.com/1422-0067/24/14/11266},

doi = {10.3390/ijms241411266},

issn = {1422-0067},

year  = {2023},

date = {2023-01-01},

journal = {International Journal of Molecular Sciences},

volume = {24},

number = {14},

abstract = {The search for fluorescent proteins with large two-photon absorption (TPA) cross-sections and improved brightness is required for their efficient use in bioimaging. Here, we explored the impact of a single-point mutation close to the anionic form of the GFP chromophore on its TPA activity. We considered the lowest-energy transition of EGFP and its modification EGFP T203I. We focused on a methodology for obtaining reliable TPA cross-sections for mutated proteins, based on conformational sampling using molecular dynamics simulations and a high-level XMCQDPT2-based QM/MM approach. We also studied the numerical convergence of the sum-over-states formalism and provide direct evidence for the applicability of the two-level model for calculating TPA cross-sections in EGFP. The calculated values were found to be very sensitive to changes in the permanent dipole moments between the ground and excited states and highly tunable by internal electric field of the protein environment. In the case of the GFP chromophore anion, even a single hydrogen bond was shown to be capable of drastically increasing the TPA cross-section. Such high tunability of the nonlinear photophysical properties of the chromophore anions can be used for the rational design of brighter fluorescent proteins for bioimaging using two-photon laser scanning microscopy.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{https://doi.org/10.1002/chem.202203949,

title = {CO-Preserving Photoinduced Transfer of Cymantrenyl Moiety: a Tandem Experimental and Computational Investigation},

author = {Vasiliy A. Chaliy and Elena S. Kelbysheva and Mariam G. Ezernitskaya and Tatyana V. Strelkova and Anastasia V. Bochenkova and Michael G. Medvedev and Lyudmila N. Telegina},

url = {https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.202203949},

doi = {https://doi.org/10.1002/chem.202203949},

year  = {2023},

date = {2023-01-01},

journal = {Chemistry – A European Journal},

volume = {29},

number = {29},

pages = {e202203949},

abstract = {Abstract Cyclopentadienyl manganese tricarbonyl (cymantrene) is known to undergo photochemical reactions by releasing one of its CO ligands. Here we present the first example of a photorearrangement of a cymantrenylmethyl fragment, where it retains all its three CO ligands. A tandem experimental and DFT (density functional theory)-based computational investigation allows us to explain this unexpected behavior: the rearrangement, indeed, begins with the release of one CO ligand, but cage effect of the solvent captures this CO molecule, allowing it to rapidly reattach once the rearrangement takes place.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{doi:10.1021/acs.jpclett.3c01452,

title = {High-Resolution Spectroscopy and Selective Photoresponse of Cryogenically Cooled Green Fluorescent Protein Chromophore Anions},

author = {Lars H. Andersen and Anne P. Rasmussen and Henrik B. Pedersen and Oleg B. Beletsan and Anastasia V. Bochenkova},

url = {https://doi.org/10.1021/acs.jpclett.3c01452},

doi = {10.1021/acs.jpclett.3c01452},

year  = {2023},

date = {2023-01-01},

journal = {The Journal of Physical Chemistry Letters},

volume = {14},

number = {28},

pages = {6395-6401},

note = {PMID: 37428615},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{pmid35848550,

title = {Action-Absorption Spectroscopy at the Band Origin of the Deprotonated Green Fluorescent Protein Chromophore In Vacuo},

author = {Anastasia V Bochenkova and Lars H Andersen},

doi = {10.1021/acs.jpclett.2c01791},

issn = {1948-7185},

year  = {2022},

date = {2022-07-01},

journal = {J Phys Chem Lett},

volume = {13},

number = {29},

pages = {6683--6685},

abstract = {The application of action spectroscopy in connection with determination of the S to S band origin in the GFP anion model chromophore (deprotonated HBDI) is discussed. We specifically address the consequences of the lowest vibrational levels in S being located behind a potential-energy barrier that inhibits internal conversion to the S electronic ground state. Action spectroscopy based on consecutive absorption of two photons together with internal conversion will as a consequence reveal an apparent band origin that is significantly blue-shifted.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{doi:10.1021/acs.jpcb.2c00643,

title = {Protein Mobility Measurements through Oxidative Green-to-Red Photoconversion of EGFP},

author = {Vladimir E. Bochenkov and Nina S. Sopova and Aleksander M. Shakhov and Artyom A. Astafiev and Anastasia V. Bochenkova},

url = {https://doi.org/10.1021/acs.jpcb.2c00643},

doi = {10.1021/acs.jpcb.2c00643},

year  = {2022},

date = {2022-06-03},

urldate = {2022-06-03},

journal = {The Journal of Physical Chemistry B},

volume = {126},

issue = {23},

pages = {4184–4188},

abstract = {Protein dynamics plays a key role in live cell functioning, stimulating the development of new experimental techniques for studying protein transport phenomena. Here, we introduce a relaxation method that is based on the rapid formation of a nonequilibrium concentration profile of the enhanced green fluorescent protein (EGFP) across a sample by its oxidative green-to-red photoconversion. Following the blue-light irradiation of a part of a sample containing EGFP and an oxidant, the diffusion-controlled response of a system is monitored. Changes in the concentration of the initial green-emitting and oxidized red-emitting forms are simultaneously tracked by fluorescence lifetime measurements using the time-correlated single photon counting. We show that the diffusion coefficient of EGFP in water, determined by this method, is in good agreement with previously published data. This approach opens a way for the studies of intracellular viscosity changes combined with sensing of elevated levels of reactive oxygen species.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Rasmussen2022,

title = {On the temperature of large biomolecules in ion-storage rings},

author = {Anne P. Rasmussen and Ricky Teiwes and Dilara A. Farkhutdinova and Anastasia V. Bochenkova and Lars H. Andersen},

url = {https://link.springer.com/article/10.1140/epjd/s10053-022-00400-y https://link.springer.com/10.1140/epjd/s10053-022-00400-y},

doi = {10.1140/epjd/s10053-022-00400-y},

year  = {2022},

date = {2022-05-01},

journal = {The European Physical Journal D},

volume = {76},

number = {5},

pages = {76},

publisher = {Springer},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Gruber2021,

title = {Light Driven Ultrafast Bioinspired Molecular Motors: Steering and Accelerating Photoisomerization Dynamics of Retinal},

author = {E. Gruber and A. M. Kabylda and M. B. Nielsen and A. P. Rasmussen and R. Teiwes and P. A. Kusochek and A. V. Bochenkova and L. H. Andersen},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85122207922&doi=10.1021%2fjacs.1c10752&partnerID=40&md5=3a578161de96a630322dcf7146d53bbf},

doi = {10.1021/jacs.1c10752},

year  = {2022},

date = {2022-01-01},

urldate = {2021-01-01},

journal = {Journal of the American Chemical Society},

volume = {144},

number = {1},

pages = {69–73},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{fielding2022liquid-microjet429253392,

title = {Liquid-microjet photoelectron spectroscopy of the green fluorescent protein chromophore},

author = {Omri Tau and Alice Henley and Anton N. Boichenko and Nadezhda N. Kleshchina and River Riley and Bingxing Wang and Danielle Winning and Ross Lewin and Ivan P. Parkin and John M. Ward and Helen C. Hailes and Anastasia V. Bochenkova and Helen H. Fielding},

doi = {10.1038/s41467-022-28155-5},

issn = {2041-1723},

year  = {2022},

date = {2022-01-01},

journal = {Nature communications},

volume = {13},

number = {1},

pages = {507},

publisher = {United Kingdom},

address = {United Kingdom},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Finenko_2022,

title = {Trajectory-based Simulation of Far-infrared Collision-induced Absorption Profiles of CH4–N2 for Modeling Titan's Atmosphere},

author = {Artem A. Finenko and Bruno Bézard and Iouli E. Gordon and Daniil N. Chistikov and Sergei E. Lokshtanov and Sergey V. Petrov and Andrey A. Vigasin},

url = {https://doi.org/10.3847/1538-4365/ac36d3},

doi = {10.3847/1538-4365/ac36d3},

year  = {2022},

date = {2022-01-01},

journal = {The Astrophysical Journal Supplement Series},

volume = {258},

number = {2},

pages = {33},

publisher = {American Astronomical Society},

abstract = {We report the results of the trajectory-based simulation of far-infrared collision-induced absorption (CIA) due to CH4–N2 pairs at temperatures between 70 and 400 K. Our analysis utilizes recently calculated high-level potential energy and induced dipole surfaces. Treating collision partners as rigid rotors, the time evolution of interaction-induced dipole is accumulated over a vast ensemble of classical trajectories and subsequently transformed into a CIA spectrum via Fourier transform. In our calculations, both bound and unbound states are properly accounted for, and the rigorous theory of lower-order spectral moments is addressed to check the accuracy of simulated profiles. Classically derived trajectory-based profiles are subject to two approximate desymmetrization procedures so that resulting profiles conform to the quantum principle of detailed balance. The simulated profiles are compared to laboratory measurements and employed for modeling Titan’s spectra in the 50–500 cm−1 range. Based on the desymmetrized simulated profiles, a new semiempirical model for CH4–N2 CIA is proposed for modeling Titan’s infrared spectra. Synthetic spectra derived using this model yield an excellent agreement with the data recorded by the Composite Infrared Spectrometer aboard the Cassini spacecraft at low and high emission angles.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{https://doi.org/10.1002/ejoc.202200680,

title = {Fluorescent 2-Hydroxy-3-(pyridin-2-yl)-4H-quinolizin-4-ones through Dimerization of Pyridineacetic Acids},

author = {Anatolii I. Sokolov and Maria A. Sycheva and Dilara A. Farkhutdinova and Ivan N. Myasnyanko and Andrey A. Mikhaylov and Nadezhda S. Baleeva and Anastasia V. Bochenkova and Mikhail S. Baranov},

url = {https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/ejoc.202200680},

doi = {https://doi.org/10.1002/ejoc.202200680},

year  = {2022},

date = {2022-01-01},

journal = {European Journal of Organic Chemistry},

volume = {2022},

number = {30},

pages = {e202200680},

abstract = {Abstract Pyridineacetic acids undergo dimerization under action of the activating agents, giving rise to 2-hydroxy-3-(pyridin-2-yl)-4H-quinolizin-4-ones. The introduction of a difluoroboryl bridge into such derivatives leads to novel highly fluorescent compounds.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{PhysRevA.104.062809,

title = {High-resolution spectroscopy of neutral Yb atoms in a solid Ne matrix},

author = {R. Lambo and C. -Y. Xu and S. T. Pratt and H. Xu and J. C. Zappala and K. G. Bailey and Z. -T. Lu and P. Mueller and T. P. O'Connor and B. B. Kamorzin and D. S. Bezrukov and Y. -Q. Xie and A. A. Buchachenko and J. T. Singh},

url = {https://link.aps.org/doi/10.1103/PhysRevA.104.062809},

doi = {10.1103/PhysRevA.104.062809},

year  = {2021},

date = {2021-12-01},

journal = {Phys. Rev. A},

volume = {104},

issue = {6},

pages = {062809},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{bezrukov2021trapping406693908,

title = {Trapping and migration of P-state atoms in rare gas solids: effect of angular momentum anisotropy for model O(3P) and C(3P) atoms},

author = {I. V. Leibin and D. S. Bezrukov and A. A. Buchachenko},

doi = {10.1080/00268976.2021.1995633},

issn = {1362-3028; 0026-8976},

year  = {2021},

date = {2021-01-01},

urldate = {2021-01-01},

journal = {Molecular Physics},

pages = {e1995633},

publisher = {United Kingdom},

address = {United Kingdom},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{krylov-is2021solid370246599,

title = {Is Solid Copper Oxalate a Spin Chain or a Mixture of Entangled Spin Pairs?},

author = {P. Pokhilko and D. S. Bezrukov and A. I. Krylov},

doi = {10.1021/acs.jpcc.1c01548},

issn = {1932-7455; 1932-7447},

year  = {2021},

date = {2021-01-01},

urldate = {2021-01-01},

journal = {Journal of Physical Chemistry C},

volume = {125},

pages = {7502},

publisher = {United States},

address = {United States},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Sinenko2021,

title = {Designing red-shifted molecular emitters based on the annulated locked GFPchromophore derivatives},

author = {G. D. Sinenko and D. A. Farkhutdinova and I. N. Myasnyanko and N. S. Baleeva and M. S. Baranov and A. V. Bochenkova},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85121343375&doi=10.3390%2fijms222413645&partnerID=40&md5=3538db985b54d3e96fac059fa8c047d4},

doi = {10.3390/ijms222413645},

year  = {2021},

date = {2021-01-01},

urldate = {2021-01-01},

journal = {International Journal of Molecular Sciences},

volume = {22},

number = {24},

pages = {13645},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Kusochek2021407,

title = {Role of the Protein Environment in Photoisomerization of Type I and Type II Rhodopsins: a Theoretical Perspective},

author = {P. A. Kusochek and V. V. Logvinov and A. V. Bochenkova},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85120800108&doi=10.3103%2fS0027131421060110&partnerID=40&md5=9aa76018ed468350c52c3a510602ec38},

doi = {10.3103/S0027131421060110},

year  = {2021},

date = {2021-01-01},

journal = {Moscow University Chemistry Bulletin},

volume = {76},

number = {6},

pages = {407-416},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Woodhouse202119911,

title = {A photoelectron imaging study of the deprotonated GFP chromophore anion and RNA fluorescent tags},

author = {J. L. Woodhouse and A. Henley and R. Lewin and J. M. Ward and H. C. Hailes and A. V. Bochenkova and H. H. Fielding},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85115161760&doi=10.1039%2fd1cp01901e&partnerID=40&md5=863bc75523bba807d54997ebec70bf38},

doi = {10.1039/d1cp01901e},

year  = {2021},

date = {2021-01-01},

journal = {Physical Chemistry Chemical Physics},

volume = {23},

number = {35},

pages = {19911-19922},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Langeland2021833,

title = {Controlling Light-Induced Proton Transfer from the GFP Chromophore},

author = {J. Langeland and N. W. Persen and E. Gruber and H. V. Kiefer and A. M. Kabylda and A. V. Bochenkova and L. H. Andersen},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85103005042&doi=10.1002%2fcphc.202100068&partnerID=40&md5=1df0ae77136fe69da61f39ce481f3c74},

doi = {10.1002/cphc.202100068},

year  = {2021},

date = {2021-01-01},

journal = {ChemPhysChem},

volume = {22},

number = {9},

pages = {833-841},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Kusochek20218664,

title = {Insights into the Early-Time Excited-State Dynamics of Structurally Inhomogeneous Rhodopsin KR2},

author = {P. A. Kusochek and A. V. Scherbinin and A. V. Bochenkova},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85115127132&doi=10.1021%2facs.jpclett.1c02312&partnerID=40&md5=7b1e1d6f9cadea4f28d009ab08637313},

doi = {10.1021/acs.jpclett.1c02312},

year  = {2021},

date = {2021-01-01},

journal = {Journal of Physical Chemistry Letters},

pages = {8664-8671},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{baimiev2021antibacterial370246540,

title = {Antibacterial activity of noscapine analogs},

author = {Ya A. Ivanenkov and K. Yu Filyaeva and R. T. Matniyazov and A. Kh Baymiev and A. A. Vladimirova and R. S. Yamidanov and A. R. Mavzyutov and Z. R. Zileeva and L. F. Zainullina and J. V. Vakhitova and V. I. Marina and V. A. Terentiev and I. A. Osterman and V. G. Kartsev and D. S. Bezrukov and O. A. Dontsova},

doi = {10.1016/j.bmcl.2021.128055},

issn = {1464-3405; 0960-894X},

year  = {2021},

date = {2021-01-01},

journal = {Bioorganic and Medicinal Chemistry Letters},

volume = {43},

number = {4},

pages = {128055},

publisher = {United Kingdom},

address = {United Kingdom},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{bezrukov2021generic373433247,

title = {Generic accommodations of an atom in the Lennard-Jones fcc and hcp rare-gas solids: A computational study},

author = {G. K. Ozerov and D. S. Bezrukov and A. A. Buchachenko},

doi = {10.1103/PhysRevB.103.184110},

issn = {0163-1829; 2469-9950; 2469-9969; 1098-0121},

year  = {2021},

date = {2021-01-01},

journal = {Physical Review B},

volume = {103},

pages = {184110},

publisher = {United States},

address = {United States},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{bezrukov2021modeling358168195,

title = {Modeling of the thermal migration mechanisms of atomic oxygen in Ar, Kr, and Xe crystals},

author = {I. V. Leibin and I. S. Kalinina and D. S. Bezrukov and A. A. Buchachenko},

doi = {10.1063/5.0038294},

issn = {1089-7690; 0021-9606},

year  = {2021},

date = {2021-01-01},

journal = {Journal of Chemical Physics},

volume = {154},

pages = {044305},

publisher = {United States},

address = {United States},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{bezrukov2021molecular358168286,

title = {Molecular dynamics simulations of the Ba+ ion mobility in liquid xenon},

author = {G. K. Ozerov and D. S. Bezrukov and A. A. Buchachenko},

doi = {10.1088/1742-6596/1740/1/012033},

issn = {1742-6596; 1742-6588},

year  = {2021},

date = {2021-01-01},

journal = {Journal of Physics: Conference Series},

volume = {1740},

publisher = {[Bristol, UK], England},

address = {[Bristol, UK], England},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{filippov2021co2co2332705505,

title = {CO2–CO2 and CO2–Ar continua at millimeter wavelengths},

author = {T. A. Odintsova and E. A. Serov and A. A. Balashov and M. A. Koshelev and A. O. Koroleva and A. A. Simonova and M. Yu Tretyakov and N. N. Filippov and D. N. Chistikov and A. A. Finenko and S. E. Lokshtanov and S. V. Petrov and A. A. Vigasin},

doi = {10.1016/j.jqsrt.2020.107400},

issn = {0022-4073},

year  = {2021},

date = {2021-01-01},

journal = {Journal of Quantitative Spectroscopy and Radiative Transfer},

volume = {258},

pages = {107400--107400-10},

publisher = {United Kingdom},

address = {United Kingdom},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{kalugina2021simulation388689613,

title = {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},

author = {Daniil N. Chistikov and Artem A. Finenko and Yulia N. Kalugina and Sergei E. Lokshtanov and Sergey V. Petrov and Andrey A. Vigasin},

doi = {10.1063/5.0060779},

issn = {1089-7690; 0021-9606},

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doi = {10.1039/d1cp02161c},

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