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 *

247 related articles for article (PubMed ID: 30645093)

  • 1. Meeting the Challenge of Magnetic Coupling in a Triply-Bridged Chromium Dimer: Complementary Broken-Symmetry Density Functional Theory and Multireference Density Matrix Renormalization Group Perspectives.
    Pantazis DA
    J Chem Theory Comput; 2019 Feb; 15(2):938-948. PubMed ID: 30645093
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese Complex.
    Roemelt M; Krewald V; Pantazis DA
    J Chem Theory Comput; 2018 Jan; 14(1):166-179. PubMed ID: 29211960
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Magnetic Coupling in a Tris-hydroxo-Bridged Chromium Dimer Occurs through Ligand Mediated Superexchange in Conjunction with Through-Space Coupling.
    Sharma P; Truhlar DG; Gagliardi L
    J Am Chem Soc; 2020 Sep; 142(39):16644-16650. PubMed ID: 32875795
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Ab initio density matrix renormalization group study of magnetic coupling in dinuclear iron and chromium complexes.
    Harris TV; Kurashige Y; Yanai T; Morokuma K
    J Chem Phys; 2014 Feb; 140(5):054303. PubMed ID: 24511936
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Electronic and Magnetic Properties of Kremer's tris-Hydroxo Bridged Chromium Dimer: A Challenge for DFT.
    Bennie SJ; Collison D; McDouall JJ
    J Chem Theory Comput; 2012 Dec; 8(12):4915-21. PubMed ID: 26593185
    [TBL] [Abstract][Full Text] [Related]  

  • 6. High-performance ab initio density matrix renormalization group method: applicability to large-scale multireference problems for metal compounds.
    Kurashige Y; Yanai T
    J Chem Phys; 2009 Jun; 130(23):234114. PubMed ID: 19548718
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Structure and magnetism of [M3](6/7+) metal chain complexes from density functional theory: analysis for copper and predictions for silver.
    Bénard M; Berry JF; Cotton FA; Gaudin C; López X; Murillo CA; Rohmer MM
    Inorg Chem; 2006 May; 45(10):3932-40. PubMed ID: 16676951
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Predicting exchange coupling constants in frustrated molecular magnets using density functional theory.
    Rudra I; Wu Q; Van Voorhis T
    Inorg Chem; 2007 Dec; 46(25):10539-48. PubMed ID: 17999488
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Theoretical insights into the ferromagnetic coupling in oxalato-bridged chromium(III)-cobalt(II) and chromium(III)-manganese(II) dinuclear complexes with aromatic diimine ligands.
    Vallejo J; Castro I; Déniz M; Ruiz-Pérez C; Lloret F; Julve M; Ruiz-García R; Cano J
    Inorg Chem; 2012 Mar; 51(5):3289-301. PubMed ID: 22356202
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Electronic structure of linear thiophenolate-bridged heteronuclear complexes [LFeMFeL](n)(+) (M = Cr, Co, Fe; n = 1-3): a combination of kinetic exchange interaction and electron delocalization.
    Chibotaru LF; Girerd JJ; Blondin G; Glaser T; Wieghardt K
    J Am Chem Soc; 2003 Oct; 125(41):12615-30. PubMed ID: 14531706
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study.
    England J; Bill E; Weyhermüller T; Neese F; Atanasov M; Wieghardt K
    Inorg Chem; 2015 Dec; 54(24):12002-18. PubMed ID: 26636830
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Electronic structure of the [tris(dithiolene)chromium](z) (z = 0, 1-, 2-, 3-) electron transfer series and their manganese(IV) analogues. An X-ray absorption spectroscopic and density functional theoretical study.
    Banerjee P; Sproules S; Weyhermüller T; Debeer George S; Wieghardt K
    Inorg Chem; 2009 Jul; 48(13):5829-47. PubMed ID: 20507101
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.
    Gagliardi L; Truhlar DG; Li Manni G; Carlson RK; Hoyer CE; Bao JL
    Acc Chem Res; 2017 Jan; 50(1):66-73. PubMed ID: 28001359
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: theory and application to the study of chromium dimer.
    Kurashige Y; Yanai T
    J Chem Phys; 2011 Sep; 135(9):094104. PubMed ID: 21913750
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Density functional perturbational orbital theory of spin polarization in electronic systems. II. Transition metal dimer complexes.
    Seo DK
    J Chem Phys; 2007 Nov; 127(18):184103. PubMed ID: 18020626
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A Theoretical Account of the Coupling between Metal- and Ligand-centred Spins.
    Roy S; Paul S; Misra A
    Chemphyschem; 2023 Apr; 24(8):e202200889. PubMed ID: 36622254
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Calculation of exchange coupling constants in triply-bridged dinuclear Cu(II) compounds based on spin-flip constricted variational density functional theory.
    Seidu I; Zhekova HR; Seth M; Ziegler T
    J Phys Chem A; 2012 Mar; 116(9):2268-77. PubMed ID: 22320859
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Fully Internally Contracted Multireference Configuration Interaction Theory Using Density Matrix Renormalization Group: A Reduced-Scaling Implementation Derived by Computer-Aided Tensor Factorization.
    Saitow M; Kurashige Y; Yanai T
    J Chem Theory Comput; 2015 Nov; 11(11):5120-31. PubMed ID: 26574310
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Density Functional Calculations of Electronic Structure, Charge Distribution, and Spin Coupling in Manganese-Oxo Dimer Complexes.
    Zhao XG; Richardson WH; Chen JL; Li J; Noodleman L; Tsai HL; Hendrickson DN
    Inorg Chem; 1997 Mar; 36(6):1198-1217. PubMed ID: 11669688
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Electronic structure and magnetic properties of naphthalene- and stilbene-diimide-bridged diuranium(V) complexes: a theoretical study.
    Boucenina S; Belkhiri L; Meskaldji S; Linguerri R; Chambaud G; Boucekkine A; Hochlaf M
    J Mol Model; 2020 Sep; 26(10):282. PubMed ID: 32974734
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.