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: 16366640)

  • 1. Influence of multi-atom bridging ligands on the electronic structure and magnetic properties of homodinuclear titanium molecules.
    Aikens CM; Gordon MS
    J Phys Chem A; 2005 Dec; 109(51):11885-901. PubMed ID: 16366640
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Comparative ab initio studies on the molecular structure and spectroscopic properties of FeF2: Single reference versus multireference methods.
    Solomonik VG; Stanton JF; Boggs JE
    J Chem Phys; 2008 Jun; 128(24):244104. PubMed ID: 18601314
    [TBL] [Abstract][Full Text] [Related]  

  • 3. First-principles calculations of zero-field splitting parameters.
    Ganyushin D; Neese F
    J Chem Phys; 2006 Jul; 125(2):24103. PubMed ID: 16848573
    [TBL] [Abstract][Full Text] [Related]  

  • 4. The resolution of the identity approximation for calculations of spin-spin contribution to zero-field splitting parameters.
    Ganyushin D; Gilka N; Taylor PR; Marian CM; Neese F
    J Chem Phys; 2010 Apr; 132(14):144111. PubMed ID: 20405989
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A systematic multireference perturbation-theory study of the low-lying states of SiC3.
    Rintelman JM; Gordon MS; Fletcher GD; Ivanic J
    J Chem Phys; 2006 Jan; 124(3):034303. PubMed ID: 16438579
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Dependence of charge-transport parameters on static correlation and self-interaction energy: the case of a 1,4-bis(phenylethynyl)benzene derivative conjugated molecule.
    Sancho-García JC; Pérez-Jiménez AJ
    J Phys Chem A; 2008 Oct; 112(41):10325-32. PubMed ID: 18811127
    [TBL] [Abstract][Full Text] [Related]  

  • 7. SPOCK.CI: a multireference spin-orbit configuration interaction method for large molecules.
    Kleinschmidt M; Tatchen J; Marian CM
    J Chem Phys; 2006 Mar; 124(12):124101. PubMed ID: 16599656
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Approximating correlation effects in multiconfigurational self-consistent field calculations of spin-spin coupling constants.
    San Fabián J; Díez E; García de la Vega JM; Suardíaz R
    J Chem Phys; 2008 Feb; 128(8):084108. PubMed ID: 18315034
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Trinuclear copper complexes with triplesalen ligands: geometric and electronic effects on ferromagnetic coupling via the spin-polarization mechanism.
    Glaser T; Heidemeier M; Strautmann JB; Bögge H; Stammler A; Krickemeyer E; Huenerbein R; Grimme S; Bothe E; Bill E
    Chemistry; 2007; 13(33):9191-206. PubMed ID: 17937379
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Extrapolating to the one-electron basis-set limit in electronic structure calculations.
    Varandas AJ
    J Chem Phys; 2007 Jun; 126(24):244105. PubMed ID: 17614535
    [TBL] [Abstract][Full Text] [Related]  

  • 11. A density functional study of the electronic structure and spin Hamiltonian parameters of mononuclear thiomolybdenyl complexes.
    Drew SC; Young CG; Hanson GR
    Inorg Chem; 2007 Apr; 46(7):2388-97. PubMed ID: 17305330
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Peculiarity in the electronic structure of Cu(II) complex ferromagnetically coupled with bisimino nitroxides.
    Ikoma T; Oshio H; Yamamoto M; Ohba Y; Nihei M
    J Phys Chem A; 2008 Sep; 112(37):8641-8. PubMed ID: 18714950
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Computational studies of electron paramagnetic resonance parameters for paramagnetic molybdenum complexes. 1. Method validation on small and medium-sized systems.
    Fritscher J; Hrobarik P; Kaupp M
    J Phys Chem B; 2007 May; 111(17):4616-29. PubMed ID: 17408258
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Theoretical study on electronic and spin structures of [Fe2S2](2+,+) cluster: reference interaction site model self-consistent field (RISM-SCF) and multireference second-order Møller-Plesset perturbation theory (MRMP) approach.
    Higashi M; Kato S
    J Phys Chem A; 2005 Nov; 109(43):9867-74. PubMed ID: 16833302
    [TBL] [Abstract][Full Text] [Related]  

  • 15. The restricted active space followed by second-order perturbation theory method: theory and application to the study of CuO2 and Cu2O2 systems.
    Malmqvist PA; Pierloot K; Shahi AR; Cramer CJ; Gagliardi L
    J Chem Phys; 2008 May; 128(20):204109. PubMed ID: 18513012
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Density functional theory calculations of the lowest energy quintet and triplet states of model hemes: role of functional, basis set, and zero-point energy corrections.
    Khvostichenko D; Choi A; Boulatov R
    J Phys Chem A; 2008 Apr; 112(16):3700-11. PubMed ID: 18348545
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Accurate calculation of core-electron binding energies: multireference perturbation treatment.
    Shirai S; Yamamoto S; Hyodo SA
    J Chem Phys; 2004 Oct; 121(16):7586-94. PubMed ID: 15485218
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Multireference second-order perturbation theory: how size consistent is "almost size consistent".
    Rintelman JM; Adamovic I; Varganov S; Gordon MS
    J Chem Phys; 2005 Jan; 122(4):44105. PubMed ID: 15740233
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Simplified reference wave functions for multireference perturbation theory.
    Robinson D; McDouall JJ
    J Phys Chem A; 2007 Oct; 111(39):9815-22. PubMed ID: 17727273
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Effect of spin-orbit coupling on reduction potentials of octahedral ruthenium(II/III) and osmium(II/III) complexes.
    Srnec M; Chalupský J; Fojta M; Zendlová L; Havran L; Hocek M; Kývala M; Rulísek L
    J Am Chem Soc; 2008 Aug; 130(33):10947-54. PubMed ID: 18646850
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.