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 *

143 related articles for article (PubMed ID: 21487636)

  • 1. The enthalpies of formation of AsX(n) molecules, where X=H, F or Cl, and n=1, 2 or 3, by RCCSD(T) and UCCSD(T)-F12x calculations.
    Mok DK; Lee EP; Chau FT; Dyke JM
    Phys Chem Chem Phys; 2011 May; 13(20):9540-53. PubMed ID: 21487636
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Franck-Condon simulation of the photoelectron spectrum of AsF2 and the photodetachment spectrum of AsF2(-) using ab initio calculations: ionization energy and electron affinity of AsF2.
    Mok DK; Lee EP; Chau FT; Dyke JM
    Phys Chem Chem Phys; 2010 Aug; 12(31):9075-87. PubMed ID: 20532314
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Franck-Condon simulation, including anharmonicity, of the photodetachment spectrum of P2H(-): restricted-spin coupled-cluster single-double plus perturbative triple and unrestricted-spin coupled-cluster single-double plus perturbative triple -F12x potential energy functions of P2H and P2H(-).
    Mok DK; Lee EP; Chau FT; Dyke JM
    J Chem Phys; 2011 Sep; 135(12):124312. PubMed ID: 21974527
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Ab initio calculations on the X (2)B1 and A (2)A1 states of AsH2, and Franck-Condon simulation, including anharmonicity, of the A(0,0,0)-X single vibronic level emission spectrum of AsH2.
    Lee EP; Mok DK; Chau FT; Dyke JM
    J Chem Phys; 2010 Jun; 132(23):234309. PubMed ID: 20572707
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Franck-Condon simulation of the photoelectron spectrum of AsCl₂ and the photodetachment spectrum of AsCl ₂⁻ employing UCCSD(T)-F12a potential energy functions: IE and EA of AsCl₂.
    Mok DK; Lee EP; Chau FT; Dyke JM
    J Comput Chem; 2011 Jun; 32(8):1648-60. PubMed ID: 21328405
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Correlation consistent basis sets for molecular core-valence effects with explicitly correlated wave functions: the atoms B-Ne and Al-Ar.
    Hill JG; Mazumder S; Peterson KA
    J Chem Phys; 2010 Feb; 132(5):054108. PubMed ID: 20136306
    [TBL] [Abstract][Full Text] [Related]  

  • 7. High-level ab initio predictions for the ionization energy, bond dissociation energies, and heats of formations of iron carbide (FeC) and its cation (FeC+).
    Lau KC; Chang YC; Lam CS; Ng CY
    J Phys Chem A; 2009 Dec; 113(52):14321-8. PubMed ID: 19775110
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets.
    Hill JG; Peterson KA; Knizia G; Werner HJ
    J Chem Phys; 2009 Nov; 131(19):194105. PubMed ID: 19929044
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Ab initio calculations on SF2 and its low-lying cationic states: anharmonic Franck-Condon simulation of the UV photoelectron spectrum of SF2.
    Lee EP; Mok DK; Chau FT; Dyke JM
    J Chem Phys; 2006 Sep; 125(10):104304. PubMed ID: 16999523
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ab initio calculations on low-lying electronic states of SnCl(2)- and Franck-Condon simulation of its photodetachment spectrum.
    Lee EP; Dyke JM; Mok DK; Chow WK; Chau FT
    Phys Chem Chem Phys; 2008 Feb; 10(6):834-43. PubMed ID: 18231686
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ab initio calculations on SnCl2 and Franck-Condon factor simulations of its ã-X and B-X absorption and single-vibronic-level emission spectra.
    Lee EP; Dyke JM; Mok DK; Chow WK; Chau FT
    J Chem Phys; 2007 Jul; 127(2):024308. PubMed ID: 17640129
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Correlation consistent basis sets for explicitly correlated wavefunctions: valence and core-valence basis sets for Li, Be, Na, and Mg.
    Hill JG; Peterson KA
    Phys Chem Chem Phys; 2010 Sep; 12(35):10460-8. PubMed ID: 20603665
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Thermodynamic properties of the C5, C6, and C8 n-alkanes from ab initio electronic structure theory.
    Pollack L; Windus TL; de Jong WA; Dixon DA
    J Phys Chem A; 2005 Aug; 109(31):6934-8. PubMed ID: 16834051
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ab initio and density functional theory reinvestigation of gas-phase sulfuric acid monohydrate and ammonium hydrogen sulfate.
    Kurtén T; Sundberg MR; Vehkamäki H; Noppel M; Blomqvist J; Kulmala M
    J Phys Chem A; 2006 Jun; 110(22):7178-88. PubMed ID: 16737269
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Ab initio calculations on SCl2 and low-lying cationic states of SCl2+: Franck-Condon simulation of the UV photoelectron spectrum of SCl2.
    Mok DK; Chau FT; Lee EP; Dyke JM
    J Chem Phys; 2006 Sep; 125(10):104303. PubMed ID: 16999522
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Heats of formation of diphosphene, phosphinophosphinidene, diphosphine, and their methyl derivatives, and mechanism of the borane-assisted hydrogen release.
    Matus MH; Nguyen MT; Dixon DA
    J Phys Chem A; 2007 Mar; 111(9):1726-36. PubMed ID: 17298044
    [TBL] [Abstract][Full Text] [Related]  

  • 17. High-level ab initio predictions for the ionization energies and heats of formation of five-membered-ring molecules: thiophene, furan, pyrrole, 1,3-cyclopentadiene, and borole, C4H4X/C4H4X+ (X = S, O, NH, CH2, and BH).
    Lo PK; Lau KC
    J Phys Chem A; 2011 Feb; 115(5):932-9. PubMed ID: 21210670
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A combined ab initio and Franck-Condon factor simulation study on the photodetachment spectrum of ScO2(-).
    Lee EP; Mok DK; Chau FT; Dyke JM
    J Comput Chem; 2009 Feb; 30(3):337-45. PubMed ID: 18629874
    [TBL] [Abstract][Full Text] [Related]  

  • 19. The heats of formation of diazene, hydrazine, N2H3+, N2H5+, N2H, and N2H3 and the Methyl Derivatives CH3NNH, CH3NNCH3, and CH3HNNHCH3.
    Matus MH; Arduengo AJ; Dixon DA
    J Phys Chem A; 2006 Aug; 110(33):10116-21. PubMed ID: 16913686
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Optimized Slater-type basis sets for the elements 1-118.
    Van Lenthe E; Baerends EJ
    J Comput Chem; 2003 Jul; 24(9):1142-56. PubMed ID: 12759913
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.