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 *

123 related articles for article (PubMed ID: 27359347)

  • 1. Accelerated Broadband Spectra Using Transition Dipole Decomposition and Padé Approximants.
    Bruner A; LaMaster D; Lopata K
    J Chem Theory Comput; 2016 Aug; 12(8):3741-50. PubMed ID: 27359347
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Efficient calculation of (resonance) Raman spectra and excitation profiles with real-time propagation.
    Mattiat J; Luber S
    J Chem Phys; 2018 Nov; 149(17):174108. PubMed ID: 30409007
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A Critical Evaluation and Modification of the Padé-Laplace Method for Deconvolution of Viscoelastic Spectra.
    Shams Es-Haghi S; Gardner DJ
    Molecules; 2021 Aug; 26(16):. PubMed ID: 34443425
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Real-Time Propagation TDDFT and Density Analysis for Exciton Coupling Calculations in Large Systems.
    Jornet-Somoza J; Lebedeva I
    J Chem Theory Comput; 2019 Jun; 15(6):3743-3754. PubMed ID: 31091099
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Simulation of Near-Edge X-ray Absorption Fine Structure with Time-Dependent Equation-of-Motion Coupled-Cluster Theory.
    Nascimento DR; DePrince AE
    J Phys Chem Lett; 2017 Jul; 8(13):2951-2957. PubMed ID: 28609098
    [TBL] [Abstract][Full Text] [Related]  

  • 6. An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra.
    Goings JJ; Li X
    J Chem Phys; 2016 Jun; 144(23):234102. PubMed ID: 27334149
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Comparison of Real-Time and Linear-Response Time-Dependent Density Functional Theories for Molecular Chromophores Ranging from Sparse to High Densities of States.
    Tussupbayev S; Govind N; Lopata K; Cramer CJ
    J Chem Theory Comput; 2015 Mar; 11(3):1102-9. PubMed ID: 26579760
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Simulating Valence-to-Core X-ray Emission Spectroscopy of Transition Metal Complexes with Time-Dependent Density Functional Theory.
    Zhang Y; Mukamel S; Khalil M; Govind N
    J Chem Theory Comput; 2015 Dec; 11(12):5804-9. PubMed ID: 26588191
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?
    Nemykin VN; Hadt RG; Belosludov RV; Mizuseki H; Kawazoe Y
    J Phys Chem A; 2007 Dec; 111(50):12901-13. PubMed ID: 18004829
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Simulating X-ray Absorption Spectra with Linear-Response Density Cumulant Theory.
    Peng R; Copan AV; Sokolov AY
    J Phys Chem A; 2019 Mar; 123(9):1840-1850. PubMed ID: 30742431
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Oscillator strengths of electronic excitations with response theory using phase including natural orbital functionals.
    van Meer R; Gritsenko OV; Giesbertz KJ; Baerends EJ
    J Chem Phys; 2013 Mar; 138(9):094114. PubMed ID: 23485284
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Simulating Ru L3-edge X-ray absorption spectroscopy with time-dependent density functional theory: model complexes and electron localization in mixed-valence metal dimers.
    Van Kuiken BE; Valiev M; Daifuku SL; Bannan C; Strader ML; Cho H; Huse N; Schoenlein RW; Govind N; Khalil M
    J Phys Chem A; 2013 May; 117(21):4444-54. PubMed ID: 23635307
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Linear-Response and Real-Time Time-Dependent Density Functional Theory Studies of Core-Level Near-Edge X-Ray Absorption.
    Lopata K; Van Kuiken BE; Khalil M; Govind N
    J Chem Theory Comput; 2012 Sep; 8(9):3284-92. PubMed ID: 26605735
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Excited State Absorption from Real-Time Time-Dependent Density Functional Theory.
    Fischer SA; Cramer CJ; Govind N
    J Chem Theory Comput; 2015 Sep; 11(9):4294-303. PubMed ID: 26575924
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Density functional calculations of the vibronic structure of electronic absorption spectra.
    Dierksen M; Grimme S
    J Chem Phys; 2004 Feb; 120(8):3544-54. PubMed ID: 15268516
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Local approaches for electric dipole moments in periodic systems and their application to real-time time-dependent density functional theory.
    Schreder L; Luber S
    J Chem Phys; 2021 Oct; 155(13):134116. PubMed ID: 34624999
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Time-dependent quantum transport: an efficient method based on Liouville-von-Neumann equation for single-electron density matrix.
    Xie H; Jiang F; Tian H; Zheng X; Kwok Y; Chen S; Yam C; Yan Y; Chen G
    J Chem Phys; 2012 Jul; 137(4):044113. PubMed ID: 22852603
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Natural Atomic Orbital Representation for Optical Spectra Calculations in the Exciton Scattering Approach.
    Li H; Chernyak VY; Tretiak S
    J Phys Chem Lett; 2012 Dec; 3(24):3734-9. PubMed ID: 26291103
    [TBL] [Abstract][Full Text] [Related]  

  • 19. One- and two-photon absorptions in asymmetrically substituted free-base porphyrins: a density functional theory study.
    Chandra Jha P; Minaev B; Agren H
    J Chem Phys; 2008 Feb; 128(7):074302. PubMed ID: 18298144
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Requirements of first-principles calculations of X-ray absorption spectra of liquid water.
    Fransson T; Zhovtobriukh I; Coriani S; Wikfeldt KT; Norman P; Pettersson LG
    Phys Chem Chem Phys; 2016 Jan; 18(1):566-83. PubMed ID: 26619162
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.