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 *

191 related articles for article (PubMed ID: 35558035)

  • 1. Application of DFT-based machine learning for developing molecular electrode materials in Li-ion batteries.
    Allam O; Cho BW; Kim KC; Jang SS
    RSC Adv; 2018 Nov; 8(69):39414-39420. PubMed ID: 35558035
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Theoretical Investigation of
    Hussein HA; Fadhil GF
    ACS Omega; 2023 Feb; 8(5):4937-4953. PubMed ID: 36777615
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Comparison of DFT methods for molecular orbital eigenvalue calculations.
    Zhang G; Musgrave CB
    J Phys Chem A; 2007 Mar; 111(8):1554-61. PubMed ID: 17279730
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Evaluating frontier orbital energy and HOMO/LUMO gap with descriptors from density functional reactivity theory.
    Huang Y; Rong C; Zhang R; Liu S
    J Mol Model; 2017 Jan; 23(1):3. PubMed ID: 27933419
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Theoretical Investigation on Molecular Structure and Electronic Properties of B
    Çipiloğlu MA; Özkurt A
    Molecules; 2020 Jul; 25(14):. PubMed ID: 32709031
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Al7Ag and Al7Au clusters with large highest occupied molecular orbital-lowest unoccupied molecular orbital gap.
    Chen MX; Yan XH; Wei SH
    J Phys Chem A; 2007 Sep; 111(35):8659-62. PubMed ID: 17696321
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Transferable Multilevel Attention Neural Network for Accurate Prediction of Quantum Chemistry Properties via Multitask Learning.
    Liu Z; Lin L; Jia Q; Cheng Z; Jiang Y; Guo Y; Ma J
    J Chem Inf Model; 2021 Mar; 61(3):1066-1082. PubMed ID: 33629839
    [TBL] [Abstract][Full Text] [Related]  

  • 8. First-principles investigation on the electronic efficiency and binding energy of the contacts formed by graphene and poly-aromatic hydrocarbon anchoring groups.
    Li Y; Tu X; Wang H; Sanvito S; Hou S
    J Chem Phys; 2015 Apr; 142(16):164701. PubMed ID: 25933778
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Unraveling the Role of Aromatic Ring Size in Tuning the Electrochemical Performance of Small-Molecule Imide Cathodes for Lithium-Ion Batteries.
    Chen J; Gu S; Hao R; Liu K; Wang Z; Li Z; Yuan H; Guo H; Zhang K; Lu Z
    ACS Appl Mater Interfaces; 2022 Oct; 14(39):44330-44337. PubMed ID: 36125517
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Density functional theory for comprehensive orbital energy calculations.
    Nakata A; Tsuneda T
    J Chem Phys; 2013 Aug; 139(6):064102. PubMed ID: 23947838
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity.
    Teale AM; De Proft F; Tozer DJ
    J Chem Phys; 2008 Jul; 129(4):044110. PubMed ID: 18681637
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Electronic properties of [core+exo]-type gold clusters: factors affecting the unique optical transitions.
    Shichibu Y; Konishi K
    Inorg Chem; 2013 Jun; 52(11):6570-5. PubMed ID: 23679833
    [TBL] [Abstract][Full Text] [Related]  

  • 13. On lithium doping in two stable nano-flakes of the B
    Hosseinian A; Vessally E; Babazadeh M; Edjlali L; Es'haghi M
    J Mol Graph Model; 2018 Jan; 79():213-222. PubMed ID: 29232629
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Molecular structure, FT IR, NMR, UV, NBO and HOMO-LUMO of 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile by DFT/B3LYP and PBEPBE methods with LanL2DZ and 6-311++G(d,2p) basis sets.
    Khajehzadeh M; Moghadam M
    Spectrochim Acta A Mol Biomol Spectrosc; 2017 Jun; 180():51-66. PubMed ID: 28273614
    [TBL] [Abstract][Full Text] [Related]  

  • 15. First-Principles Density Functional Theory Modeling of Li Binding: Thermodynamics and Redox Properties of Quinone Derivatives for Lithium-Ion Batteries.
    Kim KC; Liu T; Lee SW; Jang SS
    J Am Chem Soc; 2016 Feb; 138(7):2374-82. PubMed ID: 26824616
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Mapping the frontier orbital energies of imidazolium-based cations using machine learning.
    Dhakal P; Gassaway W; Shah JK
    J Chem Phys; 2023 Aug; 159(6):. PubMed ID: 37579028
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Mellitic Triimides Showing Three One-Electron Redox Reactions with Increased Redox Potential as New Electrode Materials for Li-Ion Batteries.
    Min DJ; Lee K; Park SY; Kwon JE
    ChemSusChem; 2020 May; 13(9):2303-2311. PubMed ID: 32109008
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Computational Design of 3D Lantern Organic Framework.
    Nguyen LH; Truong TN
    Chemistry; 2024 Nov; 30(61):e202402383. PubMed ID: 39169446
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A computational study of lithium interaction with tetracyanoethylene (TCNE) and tetracyaniquinodimethane (TCNQ) molecules.
    Chen Y; Manzhos S
    Phys Chem Chem Phys; 2016 Jan; 18(3):1470-7. PubMed ID: 26660893
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Electrochemical Properties of Boron-Doped Fullerene Derivatives for Lithium-Ion Battery Applications.
    Sood P; Kim KC; Jang SS
    Chemphyschem; 2018 Mar; 19(6):753-758. PubMed ID: 29216411
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.