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Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

196 related items for PubMed ID: 22401301

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  • 2. Prediction of water's isotropic nuclear shieldings and indirect nuclear spin-spin coupling constants (SSCCs) using correlation-consistent and polarization-consistent basis sets in the Kohn-Sham basis set limit.
    Kupka T.
    Magn Reson Chem; 2009 Mar; 47(3):210-21. PubMed ID: 19086009
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  • 3. 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
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  • 5. H2O, H2, HF, F2 and F2O nuclear magnetic shielding constants and indirect nuclear spin-spin coupling constants (SSCCs) in the BHandH/pcJ-n and BHandH/XZP Kohn-Sham limits.
    Kupka T.
    Magn Reson Chem; 2009 Nov; 47(11):959-70. PubMed ID: 19681101
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  • 15. Benchmarking Correlated Methods for Frequency-Dependent Polarizabilities: Aromatic Molecules with the CC3, CCSD, CC2, SOPPA, SOPPA(CC2), and SOPPA(CCSD) Methods.
    Jørgensen MW, Faber R, Ligabue A, Sauer SPA.
    J Chem Theory Comput; 2020 May 12; 16(5):3006-3018. PubMed ID: 32302474
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  • 19. Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer.
    Pitonák M, Riley KE, Neogrády P, Hobza P.
    Chemphyschem; 2008 Aug 04; 9(11):1636-44. PubMed ID: 18574830
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