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 *

139 related articles for article (PubMed ID: 30284306)

  • 1. A bulk adjusted linear combination of atomic orbitals (BA-LCAO) approach for nanoparticles.
    Kaledin AL; Hill CL; Lian T; Musaev DG
    J Comput Chem; 2019 Jan; 40(1):212-221. PubMed ID: 30284306
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Modulating electronic coupling at the quantum dot/molecule interface by wavefunction engineering.
    Kaledin AL; Hill CL; Lian T; Musaev DG
    J Chem Phys; 2019 Mar; 150(12):124704. PubMed ID: 30927884
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Structural and electronic properties of Li(2)b(4)O(7).
    Islam MM; Maslyuk VV; Bredow T; Minot C
    J Phys Chem B; 2005 Jul; 109(28):13597-604. PubMed ID: 16852703
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Ultrafast exciton dynamics and light-driven H2 evolution in colloidal semiconductor nanorods and Pt-tipped nanorods.
    Wu K; Zhu H; Lian T
    Acc Chem Res; 2015 Mar; 48(3):851-9. PubMed ID: 25682713
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Tight-binding density functional theory: an approximate Kohn-Sham DFT scheme.
    Seifert G
    J Phys Chem A; 2007 Jul; 111(26):5609-13. PubMed ID: 17439198
    [TBL] [Abstract][Full Text] [Related]  

  • 6. LCAO Electronic Structure of Nucleic Acid Bases and Other Heterocycles and Transfer Integrals in B-DNA, Including Structural Variability.
    Mantela M; Simserides C; Di Felice R
    Materials (Basel); 2021 Aug; 14(17):. PubMed ID: 34501020
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Spin-splitting calculation for zincblende semiconductors using an atomic bond-orbital model.
    Kao HF; Lo I; Chiang JC; Chen CN; Wang WT; Hsu YC; Ren CY; Lee ME; Wu CL; Gau MH
    J Phys Condens Matter; 2012 Oct; 24(41):415802. PubMed ID: 23014503
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A first-principles DFT study of UN bulk and (001) surface: comparative LCAO and PW calculations.
    Evarestov RA; Bandura AV; Losev MV; Kotomin EA; Zhukovskii YF; Bocharov D
    J Comput Chem; 2008 Oct; 29(13):2079-87. PubMed ID: 18496791
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Next generation of the self-consistent and environment-dependent Hamiltonian: Applications to various boron allotropes from zero- to three-dimensional structures.
    Tandy P; Yu M; Leahy C; Jayanthi CS; Wu SY
    J Chem Phys; 2015 Mar; 142(12):124106. PubMed ID: 25833564
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Density-Functional Tight-Binding Parameters for Bulk Zirconium: A Case Study for Repulsive Potentials.
    Hutama AS; Chou CP; Nishimura Y; Witek HA; Irle S
    J Phys Chem A; 2021 Mar; 125(10):2184-2196. PubMed ID: 33645988
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Unfolding method for first-principles LCAO electronic structure calculations.
    Lee CC; Yamada-Takamura Y; Ozaki T
    J Phys Condens Matter; 2013 Aug; 25(34):345501. PubMed ID: 23912816
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Electronic Coupling Calculations for Bridge-Mediated Charge Transfer Using Constrained Density Functional Theory (CDFT) and Effective Hamiltonian Approaches at the Density Functional Theory (DFT) and Fragment-Orbital Density Functional Tight Binding (FODFTB) Level.
    Gillet N; Berstis L; Wu X; Gajdos F; Heck A; de la Lande A; Blumberger J; Elstner M
    J Chem Theory Comput; 2016 Oct; 12(10):4793-4805. PubMed ID: 27611912
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Description of halogen bonding in semiempirical quantum-mechanical and self-consistent charge density-functional tight-binding methods.
    Řezáč J
    J Comput Chem; 2019 Jun; 40(17):1633-1642. PubMed ID: 30941801
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ground State Properties of the Wide Band Gap Semiconductor Beryllium Sulfide (BeS).
    Ayirizia BA; Brumfield JS; Malozovsky Y; Bagayoko D
    Materials (Basel); 2021 Oct; 14(20):. PubMed ID: 34683717
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Structure and magnetism of bulk Fe and Cr: from plane waves to LCAO methods.
    Soulairol R; Fu CC; Barreteau C
    J Phys Condens Matter; 2010 Jul; 22(29):295502. PubMed ID: 21399309
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Photoionization of the iodine 3d, 4s, and 4p orbitals in methyl iodide.
    Forbes R; De Fanis A; Bomme C; Rolles D; Pratt ST; Powis I; Besley NA; Simon M; Nandi S; Milosavljević AR; Nicolas C; Bozek JD; Underwood JG; Holland DMP
    J Chem Phys; 2018 Oct; 149(14):144302. PubMed ID: 30316287
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Electronic structure of stoichiometric and reduced ZnO from periodic relativistic all electron hybrid density functional calculations using numeric atom-centered orbitals.
    Viñes F; Illas F
    J Comput Chem; 2017 Mar; 38(8):523-529. PubMed ID: 28074481
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures.
    Papior NR; Calogero G; Brandbyge M
    J Phys Condens Matter; 2018 Jun; 30(25):25LT01. PubMed ID: 29762126
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Wave function engineering for ultrafast charge separation and slow charge recombination in type II core/shell quantum dots.
    Zhu H; Song N; Lian T
    J Am Chem Soc; 2011 Jun; 133(22):8762-71. PubMed ID: 21534569
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Finite-size scaling for quantum criticality using the finite-element method.
    Antillon E; Wehefritz-Kaufmann B; Kais S
    Phys Rev E Stat Nonlin Soft Matter Phys; 2012 Mar; 85(3 Pt 2):036706. PubMed ID: 22587208
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.