Vibrational resonance analysis of linear molecules using resummation of divergent Rayleigh–Schrödinger perturbation theory series
Chang, Xuanhao, Dobrolyubov, Egor O., Krasnoshchekov, Sergey V.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.03.2023)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.03.2023)
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Fundamental studies of vibrational resonance phenomena by multivalued resummation of the divergent Rayleigh-Schrödinger perturbation theory series: deciphering polyad structures of three H 2 16 O isotopologues
Chang, Xuanhao, Dobrolyubov, Egor O, Krasnoshchekov, Sergey V
Published in Physical chemistry chemical physics : PCCP (16.03.2022)
Published in Physical chemistry chemical physics : PCCP (16.03.2022)
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Journal Article
Criteria for first- and second-order vibrational resonances and correct evaluation of the Darling-Dennison resonance coefficients using the canonical Van Vleck perturbation theory
Krasnoshchekov, Sergey V, Isayeva, Elena V, Stepanov, Nikolay F
Published in The Journal of chemical physics (21.12.2014)
Published in The Journal of chemical physics (21.12.2014)
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Ab Initio Anharmonic Analysis of Vibrational Spectra of Uracil Using the Numerical-Analytic Implementation of Operator Van Vleck Perturbation Theory
Krasnoshchekov, Sergey V, Vogt, Natalja, Stepanov, Nikolay F
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.06.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.06.2015)
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Journal Article
Numerical-Analytic Implementation of the Higher-Order Canonical Van Vleck Perturbation Theory for the Interpretation of Medium-Sized Molecule Vibrational Spectra
Krasnoshchekov, Sergey V, Isayeva, Elena V, Stepanov, Nikolay F
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.04.2012)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.04.2012)
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Journal Article
Comparing the accuracy of perturbative and variational calculations for predicting fundamental vibrational frequencies of dihalomethanes
Krasnoshchekov, Sergey V, Schutski, Roman S, Craig, Norman C, Sibaev, Marat, Crittenden, Deborah L
Published in The Journal of chemical physics (28.02.2018)
Published in The Journal of chemical physics (28.02.2018)
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Journal Article
Nonempirical Anharmonic Vibrational Perturbation Theory Applied to Biomolecules: Free-Base Porphin
Krasnoshchekov, Sergey V, Stepanov, Nikolay F
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.03.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.03.2015)
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Journal Article
Anharmonic Vibrational Analysis of the Infrared and Raman Gas-Phase Spectra of s‑trans- and s‑gauche-1,3-Butadiene
Krasnoshchekov, Sergey V, Craig, Norman C, Boopalachandran, Praveenkumar, Laane, Jaan, Stepanov, Nikolay F
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.10.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.10.2015)
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Journal Article
Anharmonic Vibrational Analysis of the Gas-Phase Infrared Spectrum of 1,1-Difluoroethylene Using the Operator Van Vleck Canonical Perturbation Theory
Krasnoshchekov, Sergey V, Craig, Norman C, Stepanov, Nikolay F
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11.04.2013)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11.04.2013)
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Journal Article
Overtone spectroscopy of v(C=O) stretching vibration of hexafluoroacetone: Experimental and ab initio determination of peak positions, absolute intensities, and band shapes
Krasnoshchekov, Sergey V., Laptev, Vladimir B., Klimin, Sergey A., Gainullin, Ivan K., Makarov, Alexander A.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.09.2020)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.09.2020)
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Journal Article
Determination of accurate semiexperimental equilibrium structure of proline using efficient transformations of anharmonic force fields among the series of isotopologues
Vogt, Natalja, Demaison, Jean, Krasnoshchekov, Sergey V., Stepanov, Nikolay F., Rudolph, Heinz Dieter
Published in Molecular physics (18.04.2017)
Published in Molecular physics (18.04.2017)
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Journal Article
Anharmonic vibrational analysis of s-trans and s-cis conformers of acryloyl fluoride using numerical-analytic Van Vleck operator perturbation theory
Krasnoshchekov, Sergey V., Craig, Norman C., Koroleva, Lidiya A., Stepanov, Nikolay F.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.01.2018)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.01.2018)
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Journal Article
Ladder operators for Morse oscillator and a perturbed vibrational problem
Krasnoshchekov, Sergey V., Chang, Xuanhao
Published in International reviews in physical chemistry (02.01.2019)
Published in International reviews in physical chemistry (02.01.2019)
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Journal Article
Fundamental studies of vibrational resonance phenomena by multivalued resummation of the divergent Rayleigh-Schrödinger perturbation theory series: deciphering polyad structures of three HO isotopologues
Chang, Xuanhao, Dobrolyubov, Egor O, Krasnoshchekov, Sergey V
Published in Physical chemistry chemical physics : PCCP (16.03.2022)
Published in Physical chemistry chemical physics : PCCP (16.03.2022)
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Journal Article
Hypofluorous acid (HOF): A molecule with a rare (1,-2,-1) vibrational resonance and (8,3,2) polyad structure revealed by Padé-Hermite resummation of divergent Rayleigh-Schrödinger perturbation theory series
Krasnoshchekov, Sergey V., Dobrolyubov, Egor O., Chang, Xuanhao
Published in Journal of quantitative spectroscopy & radiative transfer (01.07.2021)
Published in Journal of quantitative spectroscopy & radiative transfer (01.07.2021)
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Journal Article
Vibrational resonance phenomena of the OCS isotopologues studied by resummation of high-order Rayleigh–Schrödinger perturbation theory
Dobrolyubov, Egor O., Polyakov, Igor V., Millionshchikov, Dmitry V., Krasnoshchekov, Sergey V.
Published in Journal of quantitative spectroscopy & radiative transfer (01.04.2024)
Published in Journal of quantitative spectroscopy & radiative transfer (01.04.2024)
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Journal Article
Infrared vibrational spectra and absolute intensities of fundamental bands of bis(trifluoromethyl)ketene: Ab initio interpretation using the second order operator Van Vleck perturbation theory
Krasnoshchekov, Sergey V., Laptev, Vladimir B., Gainullin, Ivan K.
Published in Journal of quantitative spectroscopy & radiative transfer (01.12.2021)
Published in Journal of quantitative spectroscopy & radiative transfer (01.12.2021)
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