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 *

200 related articles for article (PubMed ID: 25591364)

  • 1. Effect of Hartree-Fock exact exchange on intramolecular magnetic coupling constants of organic diradicals.
    Cho D; Ko KC; Ikabata Y; Wakayama K; Yoshikawa T; Nakai H; Lee JY
    J Chem Phys; 2015 Jan; 142(2):024318. PubMed ID: 25591364
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Scaling approach for intramolecular magnetic coupling constants of organic diradicals.
    Ko KC; Cho D; Lee JY
    J Phys Chem A; 2013 Apr; 117(16):3561-8. PubMed ID: 23547984
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Metaphenylene-based nitroxide diradicals: a protocol to calculate intermolecular coupling constant in a one-dimensional chain.
    Sadhukhan T; Hansda S; Latif IA; Datta SN
    J Phys Chem A; 2013 Dec; 117(49):13151-60. PubMed ID: 24266400
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Density functionals with broad applicability in chemistry.
    Zhao Y; Truhlar DG
    Acc Chem Res; 2008 Feb; 41(2):157-67. PubMed ID: 18186612
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Evaluating the impact of Hartree-Fock exact exchange on the performance of global hybrid functionals for the vertical excited-state energies of fused-ring electron acceptors using TD-DFT.
    Ali A; Farid T; Rafiq MI; Zhou B; Tang W
    Phys Chem Chem Phys; 2022 Sep; 24(35):21270-21282. PubMed ID: 36043262
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Broken-symmetry density functional theory investigation on bis-nitronyl nitroxide diradicals: influence of length and aromaticity of couplers.
    Ali ME; Datta SN
    J Phys Chem A; 2006 Mar; 110(8):2776-84. PubMed ID: 16494389
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Polyacene spacers in intramolecular magnetic coupling.
    Ali ME; Datta SN
    J Phys Chem A; 2006 Dec; 110(49):13232-7. PubMed ID: 17149839
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A DFT study on the magnetostructural property of ferromagnetic heteroverdazyl diradicals with phenylene coupler.
    Bhattacharya D; Shil S; Panda A; Misra A
    J Phys Chem A; 2010 Nov; 114(43):11833-41. PubMed ID: 20923212
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Computational NMR coupling constants: shifting and scaling factors for evaluating 1JCH.
    San Fabián J; García de la Vega JM; Suardíaz R; Fernández-Oliva M; Pérez C; Crespo-Otero R; Contreras RH
    Magn Reson Chem; 2013 Dec; 51(12):775-87. PubMed ID: 24123317
    [TBL] [Abstract][Full Text] [Related]  

  • 10. On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies.
    Jacquemin D; Perpète EA; Ciofini I; Adamo C; Valero R; Zhao Y; Truhlar DG
    J Chem Theory Comput; 2010 Jul; 6(7):2071-85. PubMed ID: 26615935
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Density functional theory based study of magnetic interaction in bis-oxoverdazyl diradicals connected by different aromatic couplers.
    Bhattacharya D; Misra A
    J Phys Chem A; 2009 May; 113(18):5470-5. PubMed ID: 19361184
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Appropriate description of intermolecular interactions in the methane hydrates: an assessment of DFT methods.
    Liu Y; Zhao J; Li F; Chen Z
    J Comput Chem; 2013 Jan; 34(2):121-31. PubMed ID: 22949382
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Unrestricted prescriptions for open-shell singlet diradicals: using economical ab initio and density functional theory to calculate singlet-triplet gaps and bond dissociation curves.
    Ess DH; Cook TC
    J Phys Chem A; 2012 May; 116(20):4922-9. PubMed ID: 22578025
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Simple but useful scheme toward understanding of intramolecular magnetic interactions: benzene-bridged oxoverdazyl diradicals.
    Ko KC; Park YG; Cho D; Lee JY
    J Phys Chem A; 2014 Oct; 118(40):9596-606. PubMed ID: 25222192
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Influence of solute-solvent hydrogen bonding on intramolecular magnetic exchange interaction in aminoxyl diradicals: a QM/MM broken-symmetry DFT study.
    Ali ME; Oppeneer PM; Datta SN
    J Phys Chem B; 2009 Apr; 113(16):5545-8. PubMed ID: 19331404
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Performance of the M06 family of exchange-correlation functionals for predicting magnetic coupling in organic and inorganic molecules.
    Valero R; Costa R; de P R Moreira I; Truhlar DG; Illas F
    J Chem Phys; 2008 Mar; 128(11):114103. PubMed ID: 18361550
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Evaluating Minnesota 2006 density functionals against some challenging problems in DFT.
    Ebadi A; Noei M
    J Mol Model; 2017 Feb; 23(2):38. PubMed ID: 28120121
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Organic magnetic diradicals (radical-coupler-radical): standardization of couplers for strong ferromagnetism.
    Cho D; Ko KC; Lee JY
    J Phys Chem A; 2014 Jul; 118(27):5112-21. PubMed ID: 24936749
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets.
    Laury ML; Carlson MJ; Wilson AK
    J Comput Chem; 2012 Nov; 33(30):2380-7. PubMed ID: 22815183
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Towards quantifying the role of exact exchange in the prediction hydrogen bond spin-spin coupling constants involving fluorine.
    San Fabián J; Omar S; García de la Vega JM
    J Chem Phys; 2016 Aug; 145(8):084301. PubMed ID: 27586916
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.