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 *

128 related articles for article (PubMed ID: 22260574)

  • 1. Accurate calculation of the intensity dependence of the refractive index using polarized basis sets.
    Baranowska-Łączkowska A; Łączkowski KZ; Fernández B
    J Chem Phys; 2012 Jan; 136(2):024302. PubMed ID: 22260574
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Accurate calculation of optically induced birefringences in chiral systems using efficient polarized basis sets.
    Baranowska-Łączkowska A; Fernández B
    Phys Chem Chem Phys; 2018 Dec; 20(47):29717-29723. PubMed ID: 30460941
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Comparison of Property-Oriented Basis Sets for the Computation of Electronic and Nuclear Relaxation Hyperpolarizabilities.
    Zaleśny R; Baranowska-Łączkowska A; Medveď M; Luis JM
    J Chem Theory Comput; 2015 Sep; 11(9):4119-28. PubMed ID: 26575907
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Basis sets for the evaluation of van der Waals complex interaction energies: Ne-N2 intermolecular potential and microwave spectrum.
    Baranowska-Łączkowska A; Fernández B
    J Comput Chem; 2014 Jan; 35(3):199-203. PubMed ID: 24375320
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Model studies of the optical rotation, and theoretical determination of its sign for beta-pinene and trans-pinane.
    Baranowska A; Łaczkowski KZ; Sadlej AJ
    J Comput Chem; 2010 Apr; 31(6):1176-81. PubMed ID: 19777492
    [TBL] [Abstract][Full Text] [Related]  

  • 6. New basis sets for the evaluation of interaction-induced electric properties in hydrogen-bonded complexes.
    Baranowska-Łączkowska A; Fernández B; Zaleśny R
    J Comput Chem; 2013 Feb; 34(4):275-83. PubMed ID: 22996290
    [TBL] [Abstract][Full Text] [Related]  

  • 7. New basis sets for the evaluation of interaction energies: an ab initio study of the He-He, Ne-Ne, Ar-Ar, He-Ne, He-Ar and Ne-Ar van der Waals complex internuclear potentials and ro-vibrational spectra.
    Baranowska A; Capelo SB; Fernández B
    Phys Chem Chem Phys; 2010 Nov; 12(41):13586-96. PubMed ID: 20871894
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Basis set dependence of coupled cluster optical rotation computations.
    Mach TJ; Crawford TD
    J Phys Chem A; 2011 Sep; 115(35):10045-51. PubMed ID: 21790165
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Prediction of spectroscopic constants for diatomic molecules in the ground and excited states using time-dependent density functional theory.
    Falzon CT; Chong DP; Wang F
    J Comput Chem; 2006 Jan; 27(2):163-73. PubMed ID: 16312016
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Accurate dipole polarizabilities for water clusters n=2-12 at the coupled-cluster level of theory and benchmarking of various density functionals.
    Hammond JR; Govind N; Kowalski K; Autschbach J; Xantheas SS
    J Chem Phys; 2009 Dec; 131(21):214103. PubMed ID: 19968333
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Interaction-induced electric properties and cooperative effects in model systems.
    Baranowska A; Zawada A; Fernández B; Bartkowiak W; Kedziera D; Kaczmarek-Kedziera A
    Phys Chem Chem Phys; 2010 Jan; 12(4):852-62. PubMed ID: 20066370
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Highly accurate CCSD(R12) and CCSD(F12) optical response properties using standard triple-zeta basis sets.
    Yang J; Hättig C
    J Chem Phys; 2009 Aug; 131(7):074102. PubMed ID: 19708727
    [TBL] [Abstract][Full Text] [Related]  

  • 13. On the performance of long-range-corrected density functional theory and reduced-size polarized LPol-n basis sets in computations of electric dipole (hyper)polarizabilities of π-conjugated molecules.
    Baranowska-Łączkowska A; Bartkowiak W; Góra RW; Pawłowski F; Zaleśny R
    J Comput Chem; 2013 Apr; 34(10):819-26. PubMed ID: 23280818
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Basis set dependence of higher-order correlation effects in π-type interactions.
    Carrell EJ; Thorne CM; Tschumper GS
    J Chem Phys; 2012 Jan; 136(1):014103. PubMed ID: 22239765
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Direct ab initio dynamics study on the rate constants and kinetics isotope effects of CH(3)O+H-->CH(2)O+H(2) reaction.
    Li QS; Zhang Y; Zhang S
    J Chem Phys; 2004 Nov; 121(19):9474-80. PubMed ID: 15538868
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Optimized basis sets for the calculation of indirect nuclear spin-spin coupling constants involving the atoms B, Al, Si, P, and Cl.
    Provasi PF; Sauer SP
    J Chem Phys; 2010 Aug; 133(5):054308. PubMed ID: 20707533
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Basis set and method dependence in quantum theory of atoms in molecules calculations for covalent bonds.
    Jabłoński M; Palusiak M
    J Phys Chem A; 2010 Dec; 114(47):12498-505. PubMed ID: 21049895
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Explicit correlation and intermolecular interactions: investigating carbon dioxide complexes with the CCSD(T)-F12 method.
    de Lange KM; Lane JR
    J Chem Phys; 2011 Jan; 134(3):034301. PubMed ID: 21261347
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Variational formulation of perturbative explicitly-correlated coupled-cluster methods.
    Torheyden M; Valeev EF
    Phys Chem Chem Phys; 2008 Jun; 10(23):3410-20. PubMed ID: 18535724
    [TBL] [Abstract][Full Text] [Related]  

  • 20. From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) complete basis set limit isotropic nuclear magnetic shieldings via affordable DFT/CBS calculations.
    Kupka T; Stachów M; Nieradka M; Kaminsky J; Pluta T; Sauer SP
    Magn Reson Chem; 2011 May; 49(5):231-6. PubMed ID: 21387405
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.