BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

270 related articles for article (PubMed ID: 23441813)

  • 1. Anharmonic vibrational analysis of the gas-phase infrared spectrum of 1,1-difluoroethylene using the operator van Vleck canonical perturbation theory.
    Krasnoshchekov SV; Craig NC; Stepanov NF
    J Phys Chem A; 2013 Apr; 117(14):3041-56. PubMed ID: 23441813
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Anharmonic Vibrational Analysis of the Infrared and Raman Gas-Phase Spectra of s-trans- and s-gauche-1,3-Butadiene.
    Krasnoshchekov SV; Craig NC; Boopalachandran P; Laane J; Stepanov NF
    J Phys Chem A; 2015 Oct; 119(43):10706-23. PubMed ID: 26437183
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ab Initio Anharmonic Analysis of Vibrational Spectra of Uracil Using the Numerical-Analytic Implementation of Operator Van Vleck Perturbation Theory.
    Krasnoshchekov SV; Vogt N; Stepanov NF
    J Phys Chem A; 2015 Jun; 119(25):6723-37. PubMed ID: 26020099
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Numerical-analytic implementation of the higher-order canonical Van Vleck perturbation theory for the interpretation of medium-sized molecule vibrational spectra.
    Krasnoshchekov SV; Isayeva EV; Stepanov NF
    J Phys Chem A; 2012 Apr; 116(14):3691-709. PubMed ID: 22369280
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Nonempirical anharmonic vibrational perturbation theory applied to biomolecules: free-base porphin.
    Krasnoshchekov SV; Stepanov NF
    J Phys Chem A; 2015 Mar; 119(9):1616-27. PubMed ID: 25360995
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Anharmonic vibrational analysis of s-trans and s-cis conformers of acryloyl fluoride using numerical-analytic Van Vleck operator perturbation theory.
    Krasnoshchekov SV; Craig NC; Koroleva LA; Stepanov NF
    Spectrochim Acta A Mol Biomol Spectrosc; 2018 Jan; 189():66-79. PubMed ID: 28800431
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Polyad quantum numbers and multiple resonances in anharmonic vibrational studies of polyatomic molecules.
    Krasnoshchekov SV; Stepanov NF
    J Chem Phys; 2013 Nov; 139(18):184101. PubMed ID: 24320248
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Comparing the accuracy of perturbative and variational calculations for predicting fundamental vibrational frequencies of dihalomethanes.
    Krasnoshchekov SV; Schutski RS; Craig NC; Sibaev M; Crittenden DL
    J Chem Phys; 2018 Feb; 148(8):084102. PubMed ID: 29495771
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Rovibrationally selected and resolved state-to-state photoionization of ethylene using the infrared-vacuum ultraviolet pulsed field ionization-photoelectron method.
    Xing X; Bahng MK; Wang P; Lau KC; Baek SJ; Ng CY
    J Chem Phys; 2006 Oct; 125(13):133304. PubMed ID: 17029457
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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 SV; Isayeva EV; Stepanov NF
    J Chem Phys; 2014 Dec; 141(23):234114. PubMed ID: 25527926
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Infrared spectrum and anharmonic force field of CH2DBr.
    Baldacci A; Stoppa P; Baldan A; Giorgianni S; Gambi A
    J Phys Chem A; 2009 May; 113(21):6083-90. PubMed ID: 19413353
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Matrix-Isolated Infrared Absorption Spectrum of CH2IOO Radical.
    Zhang X; Sander SP; Cheng L; Thimmakondu VS; Stanton JF
    J Phys Chem A; 2016 Jan; 120(2):260-5. PubMed ID: 26695757
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Infrared absorption spectra of matrix-isolated cis, cis-HOONO and its ab initio CCSD(T) anharmonic vibrational bands.
    Zhang X; Nimlos MR; Ellison GB; Varner ME; Stanton JF
    J Chem Phys; 2006 Feb; 124(8):084305. PubMed ID: 16512714
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Overtone spectroscopy of v(C=O) stretching vibration of hexafluoroacetone: Experimental and ab initio determination of peak positions, absolute intensities, and band shapes.
    Krasnoshchekov SV; Laptev VB; Klimin SA; Gainullin IK; Makarov AA
    Spectrochim Acta A Mol Biomol Spectrosc; 2020 Sep; 238():118396. PubMed ID: 32408225
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Polarized matrix infrared spectra of cyclopentadienone: observations, calculations, and assignment for an important intermediate in combustion and biomass pyrolysis.
    Ormond TK; Scheer AM; Nimlos MR; Robichaud DJ; Daily JW; Stanton JF; Ellison GB
    J Phys Chem A; 2014 Jan; 118(4):708-18. PubMed ID: 24383399
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Optimal geometries and harmonic vibrational frequencies of the global minima of water clusters (H2O)n, n = 2-6, and several hexamer local minima at the CCSD(T) level of theory.
    Miliordos E; Aprà E; Xantheas SS
    J Chem Phys; 2013 Sep; 139(11):114302. PubMed ID: 24070285
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Anharmonic force field and vibrational dynamics of CH2F2 up to 5000 cm(-1) studied by Fourier transform infrared spectroscopy and state-of-the-art ab initio calculations.
    Tasinato N; Regini G; Stoppa P; Pietropolli Charmet A; Gambi A
    J Chem Phys; 2012 Jun; 136(21):214302. PubMed ID: 22697538
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The limits of rovibrational analysis: the severely entangled ν1 Polyad vibration of dichlorodifluoromethane in the greenhouse IR window.
    Robertson EG; Medcraft C; McNaughton D; Appadoo D
    J Phys Chem A; 2014 Nov; 118(46):10944-54. PubMed ID: 25338023
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Cis-cis and trans-perp HOONO: action spectroscopy and isomerization kinetics.
    Fry JL; Nizkorodov SA; Okumura M; Roehl CM; Francisco JS; Wennberg PO
    J Chem Phys; 2004 Jul; 121(3):1432-48. PubMed ID: 15260688
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Getting down to the Fundamentals of Hydrogen Bonding: Anharmonic Vibrational Frequencies of (HF)2 and (H2O)2 from Ab Initio Electronic Structure Computations.
    Howard JC; Gray JL; Hardwick AJ; Nguyen LT; Tschumper GS
    J Chem Theory Comput; 2014 Dec; 10(12):5426-35. PubMed ID: 26583226
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.