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 *

198 related articles for article (PubMed ID: 30111150)

  • 1. Coupled-cluster based basis sets for valence correlation calculations. New primitives, frozen atomic natural orbitals, and basis sets from double to hextuple zeta for atoms H, He, and B-Ne.
    Claudino D; Bartlett RJ
    J Chem Phys; 2018 Aug; 149(6):064105. PubMed ID: 30111150
    [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. Coupled-cluster based basis sets for valence correlation calculations.
    Claudino D; Gargano R; Bartlett RJ
    J Chem Phys; 2016 Mar; 144(10):104106. PubMed ID: 26979680
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled?
    Sylvetsky N; Peterson KA; Karton A; Martin JM
    J Chem Phys; 2016 Jun; 144(21):214101. PubMed ID: 27276939
    [TBL] [Abstract][Full Text] [Related]  

  • 5. An efficient linear-scaling CCSD(T) method based on local natural orbitals.
    Rolik Z; Szegedy L; Ladjánszki I; Ladóczki B; Kállay M
    J Chem Phys; 2013 Sep; 139(9):094105. PubMed ID: 24028100
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Scalable Electron Correlation Methods. 3. Efficient and Accurate Parallel Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD).
    Schwilk M; Ma Q; Köppl C; Werner HJ
    J Chem Theory Comput; 2017 Aug; 13(8):3650-3675. PubMed ID: 28661673
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory.
    Saitow M; Becker U; Riplinger C; Valeev EF; Neese F
    J Chem Phys; 2017 Apr; 146(16):164105. PubMed ID: 28456208
    [TBL] [Abstract][Full Text] [Related]  

  • 8. An efficient and near linear scaling pair natural orbital based local coupled cluster method.
    Riplinger C; Neese F
    J Chem Phys; 2013 Jan; 138(3):034106. PubMed ID: 23343267
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Massively parallel implementations of coupled-cluster methods for electron spin resonance spectra. I. Isotropic hyperfine coupling tensors in large radicals.
    Verma P; Perera A; Morales JA
    J Chem Phys; 2013 Nov; 139(17):174103. PubMed ID: 24206283
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Benchmark theoretical study of the π-π binding energy in the benzene dimer.
    Miliordos E; Aprà E; Xantheas SS
    J Phys Chem A; 2014 Sep; 118(35):7568-78. PubMed ID: 24761749
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Explicitly correlated coupled-cluster theory with Brueckner orbitals.
    Tew DP
    J Chem Phys; 2016 Aug; 145(7):074103. PubMed ID: 27544083
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Revisiting the Atomic Natural Orbital Approach for Basis Sets: Robust Systematic Basis Sets for Explicitly Correlated and Conventional Correlated ab initio Methods?
    Neese F; Valeev EF
    J Chem Theory Comput; 2011 Jan; 7(1):33-43. PubMed ID: 26606216
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The coupled cluster singles, doubles, and a hybrid treatment of connected triples based on the split virtual orbitals.
    Shen J; Kou Z; Xu E; Li S
    J Chem Phys; 2012 Jan; 136(4):044101. PubMed ID: 22299855
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Polarized basis sets of Slater-type orbitals: H to Ne atoms.
    Ema I; García De La Vega JM; Ramírez G; López R; Fernández Rico J; Meissner H; Paldus J
    J Comput Chem; 2003 May; 24(7):859-68. PubMed ID: 12692795
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Accurate calculation and modeling of the adiabatic connection in density functional theory.
    Teale AM; Coriani S; Helgaker T
    J Chem Phys; 2010 Apr; 132(16):164115. PubMed ID: 20441266
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Analytic energy gradients for the coupled-cluster singles and doubles with perturbative triples method with the density-fitting approximation.
    Bozkaya U; Sherrill CD
    J Chem Phys; 2017 Jul; 147(4):044104. PubMed ID: 28764345
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Linear-Scaling Coupled Cluster with Perturbative Triple Excitations: The Divide-Expand-Consolidate CCSD(T) Model.
    Eriksen JJ; Baudin P; Ettenhuber P; Kristensen K; Kjærgaard T; Jørgensen P
    J Chem Theory Comput; 2015 Jul; 11(7):2984-93. PubMed ID: 26575735
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. 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]  

  • 20. Accurate Noncovalent Interaction Energies Using Truncated Basis Sets Based on Frozen Natural Orbitals.
    DePrince AE; Sherrill CD
    J Chem Theory Comput; 2013 Jan; 9(1):293-9. PubMed ID: 26589031
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.