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 *

396 related articles for article (PubMed ID: 24206283)

  • 21. 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]  

  • 22. Why benchmark-quality computations are needed to reproduce 1-adamantyl cation NMR chemical shifts accurately.
    Harding ME; Gauss J; Schleyer Pv
    J Phys Chem A; 2011 Mar; 115(11):2340-4. PubMed ID: 21361308
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Electron correlation and vibrational effects in predictions of paramagnetic NMR shifts.
    Jaworski A; Hedin N
    Phys Chem Chem Phys; 2022 Jun; 24(25):15230-15244. PubMed ID: 35703010
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Gauge-origin independent calculation of magnetizabilities and rotational g tensors at the coupled-cluster level.
    Gauss J; Ruud K; Kállay M
    J Chem Phys; 2007 Aug; 127(7):074101. PubMed ID: 17718600
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Quantitative prediction of gas-phase 19F nuclear magnetic shielding constants.
    Harding ME; Lenhart M; Auer AA; Gauss J
    J Chem Phys; 2008 Jun; 128(24):244111. PubMed ID: 18601321
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Structures of the hexafluorocyclopropane, octafluorocyclobutane, and decafluorocyclopentane radical anions probed by experimental and computational studies of anisotropic electron spin resonance (ESR) spectra.
    Shiotani M; Lund A; Lunell S; Williams F
    J Phys Chem A; 2007 Jan; 111(2):321-38. PubMed ID: 17214470
    [TBL] [Abstract][Full Text] [Related]  

  • 27. The coupled cluster approach with a hybrid treatment of connected triple excitations based on the restricted Hartree-Fock reference.
    Shen J; Kou Z; Xu E; Li S
    J Chem Phys; 2011 Jan; 134(4):044134. PubMed ID: 21280714
    [TBL] [Abstract][Full Text] [Related]  

  • 28. A Systematic Comparison of Second-Order Polarization Propagator Approximation (SOPPA) and Equation-of-Motion Coupled Cluster Singles and Doubles (EOM-CCSD) Spin-Spin Coupling Constants for Selected Singly Bonded Molecules, and the Hydrides NH3, H2O, and HF and Their Protonated and Deprotonated Ions and Hydrogen-Bonded Complexes.
    Del Bene JE; Alkorta I; Elguero J
    J Chem Theory Comput; 2008 Jun; 4(6):967-73. PubMed ID: 26621237
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Hybrid coupled cluster methods based on the split virtual orbitals: barrier heights of reactions and spectroscopic constants of open-shell diatomic molecules.
    Kou Z; Shen J; Xu E; Li S
    J Phys Chem A; 2013 Jan; 117(3):626-32. PubMed ID: 23270485
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Hybrid coupled cluster methods: combining active space coupled cluster methods with coupled cluster singles, doubles, and perturbative triples.
    Kou Z; Shen J; Xu E; Li S
    J Chem Phys; 2012 May; 136(19):194105. PubMed ID: 22612078
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Benchmarking isotropic hyperfine coupling constants using (QTP) DFT functionals and coupled cluster theory.
    Windom ZW; Perera A; Bartlett RJ
    J Chem Phys; 2022 Mar; 156(9):094107. PubMed ID: 35259910
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Parallel Calculation of CCSD and CCSD(T) Analytic First and Second Derivatives.
    Harding ME; Metzroth T; Gauss J; Auer AA
    J Chem Theory Comput; 2008 Jan; 4(1):64-74. PubMed ID: 26619980
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Benchmark coupled-cluster g-tensor calculations with full inclusion of the two-particle spin-orbit contributions.
    Perera A; Gauss J; Verma P; Morales JA
    J Chem Phys; 2017 Apr; 146(16):164104. PubMed ID: 28456206
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Massively Parallel Implementation of Explicitly Correlated Coupled-Cluster Singles and Doubles Using TiledArray Framework.
    Peng C; Calvin JA; Pavošević F; Zhang J; Valeev EF
    J Phys Chem A; 2016 Dec; 120(51):10231-10244. PubMed ID: 27966947
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Local correlation calculations using standard and renormalized coupled-cluster approaches.
    Li W; Piecuch P; Gour JR; Li S
    J Chem Phys; 2009 Sep; 131(11):114109. PubMed ID: 19778102
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Coupled-cluster dynamic polarizabilities including triple excitations.
    Hammond JR; de Jong WA; Kowalski K
    J Chem Phys; 2008 Jun; 128(22):224102. PubMed ID: 18554001
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. I. Triples expansions.
    Eriksen JJ; Matthews DA; Jørgensen P; Gauss J
    J Chem Phys; 2016 May; 144(19):194102. PubMed ID: 27208931
    [TBL] [Abstract][Full Text] [Related]  

  • 38. 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]  

  • 39. Assessing the distinguishable cluster approximation based on the triple bond-breaking in the nitrogen molecule.
    Rishi V; Perera A; Bartlett RJ
    J Chem Phys; 2016 Mar; 144(12):124117. PubMed ID: 27036437
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Analytic second derivatives in closed-shell coupled-cluster theory with spin-orbit coupling.
    Wang F; Gauss J
    J Chem Phys; 2009 Oct; 131(16):164113. PubMed ID: 19894933
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 20.