BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

448 related articles for article (PubMed ID: 16689561)

  • 1. Reduced multireference coupled cluster method with singles and doubles: Perturbative corrections for triples.
    Li X; Paldus J
    J Chem Phys; 2006 May; 124(17):174101. PubMed ID: 16689561
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A truncated version of reduced multireference coupled-cluster method with singles and doubles and noniterative triples: application to F2 and Ni(CO)n (n=1, 2, and 4).
    Li X; Paldus J
    J Chem Phys; 2006 Oct; 125(16):164107. PubMed ID: 17092063
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Full potential energy curve for N2 by the reduced multireference coupled-cluster method.
    Li X; Paldus J
    J Chem Phys; 2008 Aug; 129(5):054104. PubMed ID: 18698885
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Electronic structure of organic diradicals: Evaluation of the performance of coupled-cluster methods.
    Li X; Paldus J
    J Chem Phys; 2008 Nov; 129(17):174101. PubMed ID: 19045327
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Accounting for the exact degeneracy and quasidegeneracy in the automerization of cyclobutadiene via multireference coupled-cluster methods.
    Li X; Paldus J
    J Chem Phys; 2009 Sep; 131(11):114103. PubMed ID: 19778096
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Explicitly correlated combined coupled-cluster and perturbation methods.
    Shiozaki T; Valeev EF; Hirata S
    J Chem Phys; 2009 Jul; 131(4):044118. PubMed ID: 19655848
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Force field of para- and metabenzyne diradicals: a multireference coupled-cluster study.
    Li X; Paldus J
    J Chem Phys; 2010 Mar; 132(11):114103. PubMed ID: 20331277
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Coupled-cluster connected quadruples and quintuples corrections to the harmonic vibrational frequencies and equilibrium bond distances of HF, N(2), F(2), and CO.
    Ruden TA; Helgaker T; Jørgensen P; Olsen J
    J Chem Phys; 2004 Sep; 121(12):5874-84. PubMed ID: 15367015
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Binding in transition metal complexes: Reduced multireference coupled-cluster study of the MCH2+ (M=Sc to Cu) compounds.
    Li X; Paldus J
    J Chem Phys; 2007 Jun; 126(23):234303. PubMed ID: 17600416
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Real or artifactual symmetry breaking in the BNB radical: a multireference coupled cluster viewpoint.
    Li X; Paldus J
    J Chem Phys; 2007 Jun; 126(22):224304. PubMed ID: 17581051
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. I. Formalism and mutual relationship.
    Li X; Paldus J
    J Chem Phys; 2008 Apr; 128(14):144118. PubMed ID: 18412434
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. II. Applications and performance.
    Li X; Paldus J
    J Chem Phys; 2008 Apr; 128(14):144119. PubMed ID: 18412435
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Extensive generalization of renormalized coupled-cluster methods.
    Kowalski K; Piecuch P
    J Chem Phys; 2005 Feb; 122(7):074107. PubMed ID: 15743221
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Symmetric and asymmetric triple excitation corrections for the orbital-optimized coupled-cluster doubles method: improving upon CCSD(T) and CCSD(T)(Λ): preliminary application.
    Bozkaya U; Schaefer HF
    J Chem Phys; 2012 May; 136(20):204114. PubMed ID: 22667547
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Reduced multireference coupled-cluster method: barrier heights for heavy atom transfer, nucleophilic substitution, association, and unimolecular reactions.
    Li X; Paldus J
    J Phys Chem A; 2007 Nov; 111(44):11189-97. PubMed ID: 17439105
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian.
    Piecuch P; Włoch M
    J Chem Phys; 2005 Dec; 123(22):224105. PubMed ID: 16375468
    [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. 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]  

    [Next]    [New Search]
    of 23.