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 *

269 related articles for article (PubMed ID: 17288409)

  • 1. Calculations of the optical spectra of hydrocarbon radical cations based on Koopmans' theorem.
    Nelsen SF; Weaver MN; Yamazaki D; Komatsu K; Rathore R; Bally T
    J Phys Chem A; 2007 Mar; 111(9):1667-76. PubMed ID: 17288409
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Koopmans-based analysis of the optical spectra of p-phenylene-bridged intervalence radical ions.
    Nelsen SF; Weaver MN; Telo JP; Lucht BL; Barlow S
    J Org Chem; 2005 Nov; 70(23):9326-33. PubMed ID: 16268605
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Koopmans' theorem for large molecular systems within density functional theory.
    Luo J; Xue ZQ; Liu WM; Wu JL; Yang ZQ
    J Phys Chem A; 2006 Nov; 110(43):12005-9. PubMed ID: 17064189
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Optical spectra of protected diamine 10-bond-bridged intervalence radical cations related to N,N,N'N'-tetraalkylbenzidine.
    Nelsen SF; Luo Y; Weaver MN; Lockard JV; Zink JI
    J Org Chem; 2006 May; 71(11):4286-95. PubMed ID: 16709073
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Optical spectra of delocalized dinitroaromatic radical anions revisited.
    Nelsen SF; Weaver MN; Zink JI; Telo JP
    J Am Chem Soc; 2005 Aug; 127(30):10611-22. PubMed ID: 16045349
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Koopmans' theorem in the ROHF method: canonical form for the Hartree-Fock Hamiltonian.
    Plakhutin BN; Gorelik EV; Breslavskaya NN
    J Chem Phys; 2006 Nov; 125(20):204110. PubMed ID: 17144693
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Tuning aryl, hydrazine radical cation electronic interactions using substituent effects.
    Valverde-Aguilar G; Wang X; Plummer E; Lockard JV; Zink JI; Luo Y; Weaver MN; Nelsen SF
    J Phys Chem A; 2008 Aug; 112(32):7332-41. PubMed ID: 18646735
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Formation and cleavage of aromatic disulfide radical anions.
    Antonello S; Daasbjerg K; Jensen H; Taddei F; Maran F
    J Am Chem Soc; 2003 Dec; 125(48):14905-16. PubMed ID: 14640668
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Computational study on the negative electron affinities of NO2 -.(H2O)n clusters (n=0-30).
    Ejsing AM; Brøndsted Nielsen S
    J Chem Phys; 2007 Apr; 126(15):154313. PubMed ID: 17461632
    [TBL] [Abstract][Full Text] [Related]  

  • 10. CASSCF/CAS-PT2 study of hole transfer in stacked DNA nucleobases.
    Blancafort L; Voityuk AA
    J Phys Chem A; 2006 May; 110(20):6426-32. PubMed ID: 16706397
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Electronic structure and absorption spectra of biferrocenyl and bisfulvalenide diiron radical cations: detection and assignment of new low-energy transitions.
    Warratz R; Aboulfadl H; Bally T; Tuczek F
    Chemistry; 2009; 15(7):1604-17. PubMed ID: 19130525
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Koopmans' theorem in the restricted open-shell Hartree-Fock method. 1. A variational approach.
    Plakhutin BN; Davidson ER
    J Phys Chem A; 2009 Nov; 113(45):12386-95. PubMed ID: 19459641
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Calculation of electron affinities of polycyclic aromatic hydrocarbons and solvation energies of their radical anion.
    Betowski LD; Enlow M; Riddick L; Aue DH
    J Phys Chem A; 2006 Nov; 110(47):12927-46. PubMed ID: 17125310
    [TBL] [Abstract][Full Text] [Related]  

  • 14. The spin-unrestricted molecular Kohn-Sham solution and the analogue of Koopmans's theorem for open-shell molecules.
    Gritsenko OV; Baerends EJ
    J Chem Phys; 2004 May; 120(18):8364-72. PubMed ID: 15267759
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Theoretical description of charge migration with a single Slater-determinant and beyond.
    Kuleff AI; Dreuw A
    J Chem Phys; 2009 Jan; 130(3):034102. PubMed ID: 19173505
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Spectroscopic and density functional theory studies of the molecular geometry and electronic structure of classical and nonclassical radical ions derived from 7-benzhydrylidenenorbornene analogues.
    Namai H; Ikeda H; Hirano T; Ishii H; Mizuno K
    J Phys Chem A; 2007 Aug; 111(32):7898-905. PubMed ID: 17658732
    [TBL] [Abstract][Full Text] [Related]  

  • 17. On Koopmans' theorem in density functional theory.
    Tsuneda T; Song JW; Suzuki S; Hirao K
    J Chem Phys; 2010 Nov; 133(17):174101. PubMed ID: 21054000
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?
    Nemykin VN; Hadt RG; Belosludov RV; Mizuseki H; Kawazoe Y
    J Phys Chem A; 2007 Dec; 111(50):12901-13. PubMed ID: 18004829
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Substituent effects on the energies of the electronic transitions of geminally diphenyl-substituted trimethylenemethane (TMM) radical cations. Experimental and theoretical evidence for a twisted molecular and localized electronic structure.
    Namai H; Ikeda H; Kato N; Mizuno K
    J Phys Chem A; 2007 May; 111(20):4436-42. PubMed ID: 17472352
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Electronic structure of copper phthalocyanine: an experimental and theoretical study of occupied and unoccupied levels.
    Evangelista F; Carravetta V; Stefani G; Jansik B; Alagia M; Stranges S; Ruocco A
    J Chem Phys; 2007 Mar; 126(12):124709. PubMed ID: 17411154
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.