These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

113 related articles for article (PubMed ID: 38330757)

  • 41. Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies.
    Biczysko M; Panek P; Scalmani G; Bloino J; Barone V
    J Chem Theory Comput; 2010 Jul; 6(7):2115-25. PubMed ID: 26615939
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Efficient calculation of NMR isotopic shifts: Difference-dedicated vibrational perturbation theory.
    Gräfenstein J
    J Chem Phys; 2019 Dec; 151(24):244120. PubMed ID: 31893883
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Spectroscopic and Computational Study of Acetic Acid and Its Cyclic Dimer in the Near-Infrared Region.
    Beć KB; Futami Y; Wójcik MJ; Nakajima T; Ozaki Y
    J Phys Chem A; 2016 Aug; 120(31):6170-83. PubMed ID: 27482762
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Nuclear Velocity Perturbation Theory of Vibrational Circular Dichroism.
    Scherrer A; Vuilleumier R; Sebastiani D
    J Chem Theory Comput; 2013 Dec; 9(12):5305-12. PubMed ID: 26592268
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Does ℏ play a role in multidimensional spectroscopy? Reduced hierarchy equations of motion approach to molecular vibrations.
    Sakurai A; Tanimura Y
    J Phys Chem A; 2011 Apr; 115(16):4009-22. PubMed ID: 21247206
    [TBL] [Abstract][Full Text] [Related]  

  • 46. 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]  

  • 47. Efficient anharmonic vibrational spectroscopy for large molecules using local-mode coordinates.
    Cheng X; Steele RP
    J Chem Phys; 2014 Sep; 141(10):104105. PubMed ID: 25217902
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Spectral signatures of proton delocalization in H
    Dzugan LC; DiRisio RJ; Madison LR; McCoy AB
    Faraday Discuss; 2018 Dec; 212(0):443-466. PubMed ID: 30307461
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Anharmonic rovibrational analysis for disilacyclopropenylidene (Si2CH2).
    Lu T; Wilke JJ; Yamaguchi Y; Schaefer HF
    J Chem Phys; 2011 Apr; 134(16):164101. PubMed ID: 21528944
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Direct Calculations of Mid- and Near-IR Absorption and Circular Dichroism Spectra of Chiral Molecules Using QM/MM Molecular Dynamics Simulation Method.
    Choi JH; Cho M
    J Chem Theory Comput; 2011 Dec; 7(12):4097-103. PubMed ID: 26598355
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Accurate Infrared (IR) Spectra for Molecules Containing the C≡N Moiety by Anharmonic Computations with the Double Hybrid B2PLYP Density Functional.
    Vazart F; Latouche C; Cimino P; Barone V
    J Chem Theory Comput; 2015 Sep; 11(9):4364-9. PubMed ID: 26575929
    [TBL] [Abstract][Full Text] [Related]  

  • 52. A Critical Assessment on Calculating Vibrational Spectra in Nanostructured Materials.
    Hoffman AEJ; Temmerman W; Campbell E; Damin AA; Lezcano-Gonzalez I; Beale AM; Bordiga S; Hofkens J; Van Speybroeck V
    J Chem Theory Comput; 2024 Jan; 20(2):513-531. PubMed ID: 38157404
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Density Functional Computations of Vibrational Circular Dichroism Spectra beyond the Born-Oppenheimer Approximation.
    Tomeček J; Bouř P
    J Chem Theory Comput; 2020 Apr; 16(4):2627-2634. PubMed ID: 32134648
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Anharmonic Vibrational Analysis for the Propadienylidene Molecule (H2C═C═C:).
    Wu Q; Hao Q; Wilke JJ; Simmonett AC; Yamaguchi Y; Li Q; Fang DC; Schaefer HF
    J Chem Theory Comput; 2010 Oct; 6(10):3122-30. PubMed ID: 26616774
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Theoretical study on vibrational circular dichroism spectra of tris(acetylacetonato)metal(III) complexes: anharmonic effects and low-lying excited states.
    Mori H; Yamagishi A; Sato H
    J Chem Phys; 2011 Aug; 135(8):084506. PubMed ID: 21895198
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Reinvestigation of the Infrared Spectrum of the Gas-Phase Protonated Water Tetramer.
    Wang H; Agmon N
    J Phys Chem A; 2017 Apr; 121(16):3056-3070. PubMed ID: 28351145
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Benchmark structures and binding energies of small water clusters with anharmonicity corrections.
    Temelso B; Archer KA; Shields GC
    J Phys Chem A; 2011 Nov; 115(43):12034-46. PubMed ID: 21910428
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Fully anharmonic infrared cascade spectra of polycyclic aromatic hydrocarbons.
    Mackie CJ; Chen T; Candian A; Lee TJ; Tielens AGGM
    J Chem Phys; 2018 Oct; 149(13):134302. PubMed ID: 30292208
    [TBL] [Abstract][Full Text] [Related]  

  • 59. DFT + F12 QFFs for Cost-Effective Rovibrational Spectral Data Predictions of Ground and Excited Electronic States.
    Garrett NR; Davis MC; Fortenberry RC
    J Chem Theory Comput; 2024 Feb; 20(3):1324-1336. PubMed ID: 38230913
    [TBL] [Abstract][Full Text] [Related]  

  • 60. 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]  

    [Previous]   [Next]    [New Search]
    of 6.