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 *

126 related articles for article (PubMed ID: 26587602)

  • 1. Explicitly Correlated Methods within the ccCA Methodology.
    Mahler A; Wilson AK
    J Chem Theory Comput; 2013 Mar; 9(3):1402-7. PubMed ID: 26587602
    [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. Pseudopotential-Based Correlation Consistent Composite Approach (rp-ccCA) for First- and Second-Row Transition Metal Thermochemistry.
    Manivasagam S; Laury ML; Wilson AK
    J Phys Chem A; 2015 Jul; 119(26):6867-74. PubMed ID: 26000954
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Quantitative computational thermochemistry of transition metal species.
    Deyonker NJ; Peterson KA; Steyl G; Wilson AK; Cundari TR
    J Phys Chem A; 2007 Nov; 111(44):11269-77. PubMed ID: 17500547
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Prediction of Reaction Barriers and Thermochemical Properties with Explicitly Correlated Coupled-Cluster Methods: A Basis Set Assessment.
    Zhang J; Valeev EF
    J Chem Theory Comput; 2012 Sep; 8(9):3175-86. PubMed ID: 26605729
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Is near-"spectroscopic accuracy" possible for heavy atoms and coupled cluster theory? An investigation of the first ionization potentials of the atoms Ga-Kr.
    DeYonker NJ; Peterson KA
    J Chem Phys; 2013 Apr; 138(16):164312. PubMed ID: 23635143
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. 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]  

  • 10. Toward subchemical accuracy in computational thermochemistry: focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers.
    Schuurman MS; Muir SR; Allen WD; Schaefer HF
    J Chem Phys; 2004 Jun; 120(24):11586-99. PubMed ID: 15268193
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. An explicitly correlated local coupled cluster method for calculations of large molecules close to the basis set limit.
    Adler TB; Werner HJ
    J Chem Phys; 2011 Oct; 135(14):144117. PubMed ID: 22010708
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Accurate thermochemistry for transition metal complexes from first-principles calculations.
    DeYonker NJ; Williams TG; Imel AE; Cundari TR; Wilson AK
    J Chem Phys; 2009 Jul; 131(2):024106. PubMed ID: 19603969
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Domain-based local pair natural orbital methods within the correlation consistent composite approach.
    Patel P; Wilson AK
    J Comput Chem; 2020 Mar; 41(8):800-813. PubMed ID: 31891196
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12 model.
    Valeev EF; Daniel Crawford T
    J Chem Phys; 2008 Jun; 128(24):244113. PubMed ID: 18601323
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Benchmark interaction energies for biologically relevant noncovalent complexes containing divalent sulfur.
    Mintz BJ; Parks JM
    J Phys Chem A; 2012 Jan; 116(3):1086-92. PubMed ID: 22181988
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Basis Set Dependence of Interaction Energies Computed Using Composite Post-MP2 Methods.
    Platts JA; Hill JG; Riley KE; Řezáč J; Hobza P
    J Chem Theory Comput; 2013 Jan; 9(1):330-7. PubMed ID: 26589036
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. Proton affinities of deoxyribonucleosides via the ONIOM-ccCA methodology.
    Riojas AG; John JR; Williams TG; Wilson AK
    J Comput Chem; 2012 Dec; 33(32):2590-601. PubMed ID: 22941806
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The resolution of the identity approximation applied to the correlation consistent composite approach.
    Prascher BP; Lai JD; Wilson AK
    J Chem Phys; 2009 Jul; 131(4):044130. PubMed ID: 19655860
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.