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 *

158 related articles for article (PubMed ID: 34624999)

  • 1. 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]  

  • 2. Local electric dipole moments for periodic systems via density functional theory embedding.
    Luber S
    J Chem Phys; 2014 Dec; 141(23):234110. PubMed ID: 25527922
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Solvent effects on electronic properties from Wannier functions in a dimethyl sulfoxide/water mixture.
    Kirchner B; Hutter J
    J Chem Phys; 2004 Sep; 121(11):5133-42. PubMed ID: 15352805
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Comparison of Length, Velocity, and Symmetric Gauges for the Calculation of Absorption and Electric Circular Dichroism Spectra with Real-Time Time-Dependent Density Functional Theory.
    Mattiat J; Luber S
    J Chem Theory Comput; 2022 Sep; 18(9):5513-5526. PubMed ID: 36041170
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Chiral Spectroscopy of Bulk Systems with Propagated Localized Orbitals.
    Schreder L; Luber S
    J Chem Theory Comput; 2024 May; 20(9):3894-3910. PubMed ID: 38661175
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Efficient exact exchange using Wannier functions and other related developments in planewave-pseudopotential implementation of RT-TDDFT.
    Shepard C; Zhou R; Bost J; Carney TE; Yao Y; Kanai Y
    J Chem Phys; 2024 Jul; 161(2):. PubMed ID: 38984957
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Analytic calculation and analysis of atomic polar tensors for molecules and materials using the Gaussian and plane waves approach.
    Ditler E; Kumar C; Luber S
    J Chem Phys; 2021 Mar; 154(10):104121. PubMed ID: 33722028
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Molecular properties via a subsystem density functional theory formulation: a common framework for electronic embedding.
    Höfener S; Gomes AS; Visscher L
    J Chem Phys; 2012 Jan; 136(4):044104. PubMed ID: 22299858
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Efficient Implementation of Density Functional Theory Based Embedding for Molecular and Periodic Systems Using Gaussian Basis Functions.
    Sharma M; Sierka M
    J Chem Theory Comput; 2022 Nov; 18(11):6892-6904. PubMed ID: 36223886
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Polarity and strong sensitivity to external electric field in azacrown oligophenylenevinylene.
    Nemkovich NA; Detert H; Sobchuk AN; Tomin VI; Wróblewski T
    Spectrochim Acta A Mol Biomol Spectrosc; 2022 Apr; 271():120824. PubMed ID: 35033755
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Local electric dipole moments: A generalized approach.
    Groß L; Herrmann C
    J Comput Chem; 2016 Sep; 37(25):2260-5. PubMed ID: 27520590
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Propagation of maximally localized Wannier functions in real-time TDDFT.
    Yost DC; Yao Y; Kanai Y
    J Chem Phys; 2019 May; 150(19):194113. PubMed ID: 31117778
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based
    Ko HY; Jia J; Santra B; Wu X; Car R; DiStasio RA
    J Chem Theory Comput; 2020 Jun; 16(6):3757-3785. PubMed ID: 32045232
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Projection-Based Correlated Wave Function in Density Functional Theory Embedding for Periodic Systems.
    Chulhai DV; Goodpaster JD
    J Chem Theory Comput; 2018 Apr; 14(4):1928-1942. PubMed ID: 29494155
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Voronoi dipole moments for the simulation of bulk phase vibrational spectra.
    Thomas M; Brehm M; Kirchner B
    Phys Chem Chem Phys; 2015 Feb; 17(5):3207-13. PubMed ID: 25519776
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Electrical polarization and orbital magnetization: the modern theories.
    Resta R
    J Phys Condens Matter; 2010 Mar; 22(12):123201. PubMed ID: 21389484
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Absolutely Localized Projection-Based Embedding for Excited States.
    Wen X; Graham DS; Chulhai DV; Goodpaster JD
    J Chem Theory Comput; 2020 Jan; 16(1):385-398. PubMed ID: 31769981
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A combined solvatochromic shift and TDDFT study probing solute-solvent interactions of blue fluorescent Alexa Fluor 350 dye: Evaluation of ground and excited state dipole moments.
    Patil MK; Kotresh MG; Inamdar SR
    Spectrochim Acta A Mol Biomol Spectrosc; 2019 May; 215():142-152. PubMed ID: 30822733
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Electric dipole moments of the fluorescent probes Prodan and Laurdan: experimental and theoretical evaluations.
    Vequi-Suplicy CC; Coutinho K; Lamy MT
    Biophys Rev; 2014 Mar; 6(1):63-74. PubMed ID: 28509963
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Infrared optical activity: electric field approaches in time domain.
    Rhee H; Choi JH; Cho M
    Acc Chem Res; 2010 Dec; 43(12):1527-36. PubMed ID: 20931956
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.