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 *

152 related articles for article (PubMed ID: 21913749)

  • 1. Accurate predictions of the energetics of silicon compounds using the multireference correlation consistent composite approach.
    Oyedepo GA; Peterson C; Wilson AK
    J Chem Phys; 2011 Sep; 135(9):094103. PubMed ID: 21913749
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Multireference correlation consistent composite approach [MR-ccCA]: toward accurate prediction of the energetics of excited and transition state chemistry.
    Oyedepo GA; Wilson AK
    J Phys Chem A; 2010 Aug; 114(33):8806-16. PubMed ID: 20560594
    [TBL] [Abstract][Full Text] [Related]  

  • 3. The correlation consistent composite approach (ccCA): an alternative to the Gaussian-n methods.
    DeYonker NJ; Cundari TR; Wilson AK
    J Chem Phys; 2006 Mar; 124(11):114104. PubMed ID: 16555871
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Examining the heavy p-block with a pseudopotential-based composite method: atomic and molecular applications of rp-ccCA.
    Laury ML; Wilson AK
    J Chem Phys; 2012 Dec; 137(21):214111. PubMed ID: 23231221
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Dissociation of ground and nsigma* states of CF3Cl using multireference configuration interaction with singles and doubles and with multireference average quadratic coupled cluster extensivity corrections.
    Lucena JR; Ventura E; do Monte SA; Araújo RC; Ramos MN; Fausto R
    J Chem Phys; 2007 Oct; 127(16):164320. PubMed ID: 17979351
    [TBL] [Abstract][Full Text] [Related]  

  • 6. The correlation-consistent composite approach: application to the G3/99 test set.
    DeYonker NJ; Grimes T; Yockel S; Dinescu A; Mintz B; Cundari TR; Wilson AK
    J Chem Phys; 2006 Sep; 125(10):104111. PubMed ID: 16999519
    [TBL] [Abstract][Full Text] [Related]  

  • 7. An ab initio study of the lowest electronic states of yttrium dicarbide, YC2.
    Puzzarini C; Peterson KA
    J Chem Phys; 2005 Feb; 122(8):84323. PubMed ID: 15836055
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Multireference composite approaches for the accurate study of ground and excited electronic states: C2, N2, and O2.
    Jiang W; Wilson AK
    J Chem Phys; 2011 Jan; 134(3):034101. PubMed ID: 21261324
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Structures and energetics of H(6)(+) clusters.
    Hao Q; Simmonett AC; Yamaguchi Y; Fang DC; Schaefer HF
    J Phys Chem A; 2009 Dec; 113(48):13608-20. PubMed ID: 19852448
    [TBL] [Abstract][Full Text] [Related]  

  • 10. High-level ab initio predictions for the ionization energy, bond dissociation energies, and heats of formation of nickel carbide (NiC) and its cation (NiC+).
    Lau KC; Chang YC; Shi X; Ng CY
    J Chem Phys; 2010 Sep; 133(11):114304. PubMed ID: 20866136
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Systematic theoretical study of the zero-field splitting in coordination complexes of Mn(III). Density functional theory versus multireference wave function approaches.
    Duboc C; Ganyushin D; Sivalingam K; Collomb MN; Neese F
    J Phys Chem A; 2010 Oct; 114(39):10750-8. PubMed ID: 20828179
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Incorporating a completely renormalized coupled cluster approach into a composite method for thermodynamic properties and reaction paths.
    Nedd SA; DeYonker NJ; Wilson AK; Piecuch P; Gordon MS
    J Chem Phys; 2012 Apr; 136(14):144109. PubMed ID: 22502503
    [TBL] [Abstract][Full Text] [Related]  

  • 13. A QM/QM multilayer composite methodology: The ONIOM correlation consistent composite approach (ONIOM-ccCA).
    Das SR; Williams TG; Drummond ML; Wilson AK
    J Phys Chem A; 2010 Sep; 114(34):9394-7. PubMed ID: 20701242
    [TBL] [Abstract][Full Text] [Related]  

  • 14. An ab initio study of the low-lying electronic states of S3.
    Peterson KA; Lyons JR; Francisco JS
    J Chem Phys; 2006 Aug; 125(8):084314. PubMed ID: 16965019
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Toward accurate theoretical thermochemistry of first row transition metal complexes.
    Jiang W; DeYonker NJ; Determan JJ; Wilson AK
    J Phys Chem A; 2012 Jan; 116(2):870-85. PubMed ID: 22107449
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Multireference study of spin-orbit coupling in the hydrides of the 6p-block elements using the model core potential method.
    Zeng T; Fedorov DG; Klobukowski M
    J Chem Phys; 2010 Feb; 132(7):074102. PubMed ID: 20170210
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A pseudopotential-based composite method: the relativistic pseudopotential correlation consistent composite approach for molecules containing 4d transition metals (Y-Cd).
    Laury ML; DeYonker NJ; Jiang W; Wilson AK
    J Chem Phys; 2011 Dec; 135(21):214103. PubMed ID: 22149775
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Low-lying quartet electronic states of nitrogen dioxide.
    Bera PP; Yamaguchi Y; Schaefer HF
    J Chem Phys; 2007 Nov; 127(17):174303. PubMed ID: 17994814
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Reliable predictions of the thermochemistry of boron-nitrogen hydrogen storage compounds: BxNxHy, x = 2, 3.
    Matus MH; Anderson KD; Camaioni DM; Autrey ST; Dixon DA
    J Phys Chem A; 2007 May; 111(20):4411-21. PubMed ID: 17444621
    [TBL] [Abstract][Full Text] [Related]  

  • 20. F+ and F⁻ affinities of simple N(x)F(y) and O(x)F(y) compounds.
    Grant DJ; Wang TH; Vasiliu M; Dixon DA; Christe KO
    Inorg Chem; 2011 Mar; 50(5):1914-25. PubMed ID: 21271710
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.