BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

685 related articles for article (PubMed ID: 19044907)

  • 1. Different equation-of-motion coupled cluster methods with different reference functions: the formyl radical.
    Kuś T; Bartlett RJ
    J Chem Phys; 2008 Sep; 129(10):104301. PubMed ID: 19044907
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Improving upon the accuracy for doubly excited states within the coupled cluster singles and doubles theory.
    Kuś T; Bartlett RJ
    J Chem Phys; 2009 Sep; 131(12):124310. PubMed ID: 19791884
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Spin-conserving and spin-flipping equation-of-motion coupled-cluster method with triple excitations.
    Slipchenko LV; Krylov AI
    J Chem Phys; 2005 Aug; 123(8):084107. PubMed ID: 16164282
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Quantum chemical study of the electronic structure of NiCH2 + in its ground state and low-lying electronic excited states.
    Villaume S; Daniel C; Strich A; Perera SA; Bartlett RJ
    J Chem Phys; 2005 Jan; 122(4):44313. PubMed ID: 15740254
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Second- and third-order triples and quadruples corrections to coupled-cluster singles and doubles in the ground and excited states.
    Shiozaki T; Hirao K; Hirata S
    J Chem Phys; 2007 Jun; 126(24):244106. PubMed ID: 17614536
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Higher-order equation-of-motion coupled-cluster methods for ionization processes.
    Kamiya M; Hirata S
    J Chem Phys; 2006 Aug; 125(7):074111. PubMed ID: 16942326
    [TBL] [Abstract][Full Text] [Related]  

  • 8. New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states.
    Kowalski K; Piecuch P
    J Chem Phys; 2004 Jan; 120(4):1715-38. PubMed ID: 15268302
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Multireference Fock-space coupled-cluster and equation-of-motion coupled-cluster theories: the detailed interconnections.
    Musial M; Bartlett RJ
    J Chem Phys; 2008 Oct; 129(13):134105. PubMed ID: 19045076
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A coupled cluster approach with a hybrid treatment of connected triple excitations: implementation and applications for open-shell systems.
    Shen J; Kou Z; Xu E; Li S
    J Chem Phys; 2010 Dec; 133(23):234106. PubMed ID: 21186857
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Equation-of-motion spin-flip coupled-cluster model with single and double substitutions: Theory and application to cyclobutadiene.
    Levchenko SV; Krylov AI
    J Chem Phys; 2004 Jan; 120(1):175-85. PubMed ID: 15267275
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Higher-order equation-of-motion coupled-cluster methods for electron attachment.
    Kamiya M; Hirata S
    J Chem Phys; 2007 Apr; 126(13):134112. PubMed ID: 17430021
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne.
    Ingels JB; Turney JM; Richardson NA; Yamaguchi Y; Schaefer HF
    J Chem Phys; 2006 Sep; 125(10):104306. PubMed ID: 16999525
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Benchmarking for perturbative triple-excitations in EE-EOM-CC methods.
    Watson TJ; Lotrich VF; Szalay PG; Perera A; Bartlett RJ
    J Phys Chem A; 2013 Mar; 117(12):2569-79. PubMed ID: 23406329
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Using the ONIOM hybrid method to apply equation of motion CCSD to larger systems: benchmarking and comparison with time-dependent density functional theory, configuration interaction singles, and time-dependent Hartree-Fock.
    Caricato M; Vreven T; Trucks GW; Frisch MJ; Wiberg KB
    J Chem Phys; 2009 Oct; 131(13):134105. PubMed ID: 19814541
    [TBL] [Abstract][Full Text] [Related]  

  • 18. New coupled cluster approaches based on the unrestricted Hartree-Fock reference for treating molecules with multireference character.
    Shen J; Xu E; Kou Z; Li S
    Phys Chem Chem Phys; 2011 May; 13(19):8795-804. PubMed ID: 21448471
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Coupled cluster methods including triple excitations for excited states of radicals.
    Smith CE; King RA; Crawford TD
    J Chem Phys; 2005 Feb; 122(5):54110. PubMed ID: 15740313
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 35.