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 *

551 related articles for article (PubMed ID: 22920100)

  • 21. A coupled cluster theory with iterative inclusion of triple excitations and associated equation of motion formulation for excitation energy and ionization potential.
    Maitra R; Akinaga Y; Nakajima T
    J Chem Phys; 2017 Aug; 147(7):074103. PubMed ID: 28830188
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Analytic first derivatives for a spin-adapted open-shell coupled cluster theory: evaluation of first-order electrical properties.
    Datta D; Gauss J
    J Chem Phys; 2014 Sep; 141(10):104102. PubMed ID: 25217899
    [TBL] [Abstract][Full Text] [Related]  

  • 23. 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]  

  • 24. A spin-adapted size-extensive state-specific multi-reference perturbation theory. I. Formal developments.
    Mao S; Cheng L; Liu W; Mukherjee D
    J Chem Phys; 2012 Jan; 136(2):024105. PubMed ID: 22260562
    [TBL] [Abstract][Full Text] [Related]  

  • 25. 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]  

  • 26. Spin-free intermediate Hamiltonian Fock space coupled-cluster theory with full inclusion of triple excitations for restricted Hartree Fock based triplet states.
    Musial M; Bartlett RJ
    J Chem Phys; 2008 Dec; 129(24):244111. PubMed ID: 19123499
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Universal state-selective corrections to multi-reference coupled-cluster theories with single and double excitations.
    Brabec J; van Dam HJ; Pittner J; Kowalski K
    J Chem Phys; 2012 Mar; 136(12):124102. PubMed ID: 22462830
    [TBL] [Abstract][Full Text] [Related]  

  • 28. 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]  

  • 29. 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]  

  • 30. 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]  

  • 31. Symmetry breaking in the cyclic C(3)C(2)H radical.
    Mintz B; Crawford TD
    Phys Chem Chem Phys; 2010 Dec; 12(47):15459-67. PubMed ID: 20978676
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Application of equation-of-motion coupled-cluster methods to low-lying singlet and triplet electronic states of HBO and BOH.
    DeYonker NJ; Li S; Yamaguchi Y; Schaefer HF; Crawford TD; King RA; Peterson KA
    J Chem Phys; 2005 Jun; 122(23):234316. PubMed ID: 16008450
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Perturbative calculation of spin-orbit splittings using the equation-of-motion ionization-potential coupled-cluster ansatz.
    Klein K; Gauss J
    J Chem Phys; 2008 Nov; 129(19):194106. PubMed ID: 19026044
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Alternative single-reference coupled cluster approaches for multireference problems: the simpler, the better.
    Evangelista FA
    J Chem Phys; 2011 Jun; 134(22):224102. PubMed ID: 21682502
    [TBL] [Abstract][Full Text] [Related]  

  • 35. 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]  

  • 36. Reappraisal of the role of size-extensive normalization for multireference coupled cluster (MRCC) theory using general model space: a valence universal MRCC approach.
    Bera N; Ghosh S; Mukherjee D; Chattopadhyay S
    J Phys Chem A; 2005 Dec; 109(50):11462-9. PubMed ID: 16354036
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Coupling term derivation and general implementation of state-specific multireference coupled cluster theories.
    Evangelista FA; Allen WD; Schaefer HF
    J Chem Phys; 2007 Jul; 127(2):024102. PubMed ID: 17640114
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Spin-adapted open-shell time-dependent density functional theory. III. An even better and simpler formulation.
    Li Z; Liu W
    J Chem Phys; 2011 Nov; 135(19):194106. PubMed ID: 22112065
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Calculation of excited-state properties using general coupled-cluster and configuration-interaction models.
    Kállay M; Gauss J
    J Chem Phys; 2004 Nov; 121(19):9257-69. PubMed ID: 15538846
    [TBL] [Abstract][Full Text] [Related]  

  • 40. 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]  

    [Previous]   [Next]    [New Search]
    of 28.