BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

274 related articles for article (PubMed ID: 20528031)

  • 1. Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion.
    Canuto S; Coutinho K; Cabral BJ; Zakrzewski VG; Ortiz JV
    J Chem Phys; 2010 Jun; 132(21):214507. PubMed ID: 20528031
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Assignment of photoelectron spectra of halide-water clusters: contrasting patterns of delocalization in Dyson orbitals.
    Dolgounitcheva O; Zakrzewski VG; Ortiz JV
    J Chem Phys; 2013 Apr; 138(16):164317. PubMed ID: 23635148
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Base and phosphate electron detachment energies of deoxyribonucleotide anions.
    Zakjevskii VV; King SJ; Dolgounitcheva O; Zakrzewski VG; Ortiz JV
    J Am Chem Soc; 2006 Oct; 128(41):13350-1. PubMed ID: 17031935
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Deprotonated cytosine anions: a theoretical prediction of photoelectron spectra.
    Vázquez MV; Martínez A; Dolgounitcheva O; Ortiz JV
    J Phys Chem A; 2006 Sep; 110(38):11174-7. PubMed ID: 16986852
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Valence-bound and diffuse-bound anions of 5-azauracil.
    Corzo HH; Dolgounitcheva O; Zakrzewski VG; Ortiz JV
    J Phys Chem A; 2014 Aug; 118(34):6908-13. PubMed ID: 25102270
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Efficient ab initio path integral hybrid Monte Carlo based on the fourth-order Trotter expansion: Application to fluoride ion-water cluster.
    Suzuki K; Tachikawa M; Shiga M
    J Chem Phys; 2010 Apr; 132(14):144108. PubMed ID: 20405986
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Dissociation energy of the water dimer from quantum Monte Carlo calculations.
    Gurtubay IG; Needs RJ
    J Chem Phys; 2007 Sep; 127(12):124306. PubMed ID: 17902902
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Flexible H2O2 in water: electronic structure from photoelectron spectroscopy and ab initio calculations.
    Thürmer S; Seidel R; Winter B; Ončák M; Slavíček P
    J Phys Chem A; 2011 Jun; 115(23):6239-49. PubMed ID: 21332235
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Negative ion photoelectron spectroscopy of the copper-aspartic acid anion and its hydrated complexes.
    Li X; Wang H; Bowen KH; Martínez A; Salpin JY; Schermann JP
    J Chem Phys; 2010 Aug; 133(8):084303. PubMed ID: 20815565
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Formation and photodestruction of dual dipole-bound anion (H(2)O)(6){e(-)}CH(3)NO(2).
    Nakanishi R; Nagata T
    J Chem Phys; 2009 Jun; 130(22):224309. PubMed ID: 19530770
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Electron propagator and coupled-cluster calculations on the photoelectron spectra of thiouracil and dithiouracil anions.
    Dolgounitcheva O; Zakrzewski VG; Ortiz JV
    J Chem Phys; 2011 Feb; 134(7):074305. PubMed ID: 21341842
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ab initio calculations for the Zn 2s and 2p core level binding energies in Zn oxo compounds and ZnO.
    Rössler N; Kotsis K; Staemmler V
    Phys Chem Chem Phys; 2006 Feb; 8(6):697-706. PubMed ID: 16482309
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Accuracy and limitations of second-order many-body perturbation theory for predicting vertical detachment energies of solvated-electron clusters.
    Herbert JM; Head-Gordon M
    Phys Chem Chem Phys; 2006 Jan; 8(1):68-78. PubMed ID: 16482246
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ab initio path integral simulations for the fluoride ion-water clusters: competitive nuclear quantum effect between F(-)-water and water-water hydrogen bonds.
    Kawashima Y; Suzuki K; Tachikawa M
    J Phys Chem A; 2013 Jun; 117(24):5205-10. PubMed ID: 23725443
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Dyson Orbitals and Double Rydberg Anions: Methylated, Annulated, and Paramagnetic.
    Díaz-Tinoco M; Ortiz JV
    J Phys Chem A; 2019 Dec; 123(51):10961-10967. PubMed ID: 31794215
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Stepwise hydration of the cyanide anion: a temperature-controlled photoelectron spectroscopy and ab initio computational study of CN-(H2O)n, n=2-5.
    Wang XB; Kowalski K; Wang LS; Xantheas SS
    J Chem Phys; 2010 Mar; 132(12):124306. PubMed ID: 20370122
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Negative ions of nitroethane and its clusters.
    Stokes ST; Bowen KH; Sommerfeld T; Ard S; Mirsaleh-Kohan N; Steill JD; Compton RN
    J Chem Phys; 2008 Aug; 129(6):064308. PubMed ID: 18715070
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.
    Glover WJ; Larsen RE; Schwartz BJ
    J Chem Phys; 2008 Oct; 129(16):164505. PubMed ID: 19045282
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Ab initio study of HZnF.
    Hayashi S; Léonard C; Chambaud G
    J Phys Chem A; 2009 Dec; 113(52):14615-24. PubMed ID: 19888737
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Dyson orbitals for ionization from the ground and electronically excited states within equation-of-motion coupled-cluster formalism: theory, implementation, and examples.
    Oana CM; Krylov AI
    J Chem Phys; 2007 Dec; 127(23):234106. PubMed ID: 18154374
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.