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 *

441 related articles for article (PubMed ID: 18412438)

  • 1. Toward accurate thermochemical models for transition metals: G3Large basis sets for atoms Sc-Zn.
    Mayhall NJ; Raghavachari K; Redfern PC; Curtiss LA; Rassolov V
    J Chem Phys; 2008 Apr; 128(14):144122. PubMed ID: 18412438
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
    J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc-Zn.
    Balabanov NB; Peterson KA
    J Chem Phys; 2005 Aug; 123(6):64107. PubMed ID: 16122300
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Accurate energetics of small molecules containing third-row atoms Ga-Kr: a comparison of advanced ab initio and density functional theory.
    Yockel S; Mintz B; Wilson AK
    J Chem Phys; 2004 Jul; 121(1):60-77. PubMed ID: 15260523
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Basis set limit electronic excitation energies, ionization potentials, and electron affinities for the 3d transition metal atoms: Coupled cluster and multireference methods.
    Balabanov NB; Peterson KA
    J Chem Phys; 2006 Aug; 125(7):074110. PubMed ID: 16942325
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Hartree-Fock complete basis set limit properties for transition metal diatomics.
    Williams TG; DeYonker NJ; Wilson AK
    J Chem Phys; 2008 Jan; 128(4):044101. PubMed ID: 18247924
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Relativistic effects determined using the Douglas-Kroll contracted basis sets and correlation consistent basis sets with small-core relativistic pseudopotentials.
    Yockel S; Wilson AK
    J Chem Phys; 2005 May; 122(17):174310. PubMed ID: 15910035
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Variational and diffusion Monte Carlo study of post-d group 13-17 elements.
    Al-Saidi WA
    J Chem Phys; 2008 Aug; 129(6):064316. PubMed ID: 18715078
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Gaussian basis set of double zeta quality for atoms K through Kr: application in DFT calculations of molecular properties.
    Camiletti GG; Machado SF; Jorge FE
    J Comput Chem; 2008 Nov; 29(14):2434-44. PubMed ID: 18612996
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Investigation of Gaussian4 theory for transition metal thermochemistry.
    Mayhall NJ; Raghavachari K; Redfern PC; Curtiss LA
    J Phys Chem A; 2009 Apr; 113(17):5170-5. PubMed ID: 19341257
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf-Pt.
    Figgen D; Peterson KA; Dolg M; Stoll H
    J Chem Phys; 2009 Apr; 130(16):164108. PubMed ID: 19405562
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Contracted Gaussian basis sets for Douglas-Kroll-Hess calculations: Estimating scalar relativistic effects of some atomic and molecular properties.
    Jorge FE; Canal Neto A; Camiletti GG; Machado SF
    J Chem Phys; 2009 Feb; 130(6):064108. PubMed ID: 19222268
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Gaussian-4 theory.
    Curtiss LA; Redfern PC; Raghavachari K
    J Chem Phys; 2007 Feb; 126(8):084108. PubMed ID: 17343441
    [TBL] [Abstract][Full Text] [Related]  

  • 17. New relativistic ANO basis sets for transition metal atoms.
    Roos BO; Lindh R; Malmqvist PA; Veryazov V; Widmark PO
    J Phys Chem A; 2005 Jul; 109(29):6575-9. PubMed ID: 16834004
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects.
    Zheng J; Gour JR; Lutz JJ; Włoch M; Piecuch P; Truhlar DG
    J Chem Phys; 2008 Jan; 128(4):044108. PubMed ID: 18247931
    [TBL] [Abstract][Full Text] [Related]  

  • 19. CCSD(T)/CBS atomic and molecular benchmarks for H through Ar.
    Ranasinghe DS; Petersson GA
    J Chem Phys; 2013 Apr; 138(14):144104. PubMed ID: 24981525
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Newly developed basis sets for density functional calculations.
    Chiodo S; Russo N; Sicilia E
    J Comput Chem; 2005 Jan; 26(2):175-84. PubMed ID: 15586396
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 23.