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 *

233 related articles for article (PubMed ID: 23947861)

  • 21. A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods.
    Kozma B; Tajti A; Demoulin B; Izsák R; Nooijen M; Szalay PG
    J Chem Theory Comput; 2020 Jul; 16(7):4213-4225. PubMed ID: 32502351
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Addition by subtraction in coupled cluster theory. II. Equation-of-motion coupled cluster method for excited, ionized, and electron-attached states based on the nCC ground state wave function.
    Musiał M; Bartlett RJ
    J Chem Phys; 2007 Jul; 127(2):024106. PubMed ID: 17640118
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Accuracy of Coupled Cluster Excitation Energies in Diffuse Basis Sets.
    Kánnár D; Tajti A; Szalay PG
    J Chem Theory Comput; 2017 Jan; 13(1):202-209. PubMed ID: 27959525
    [TBL] [Abstract][Full Text] [Related]  

  • 24. 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]  

  • 25. Fock space multireference coupled cluster method with full inclusion of connected triples for excitation energies.
    Musiał M; Bartlett RJ
    J Chem Phys; 2004 Jul; 121(4):1670-5. PubMed ID: 15260717
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Molecular structures and energetics of the (ZrO(2))(n) and (HfO(2))(n) (n = 1-4) clusters and their anions.
    Li S; Dixon DA
    J Phys Chem A; 2010 Feb; 114(7):2665-83. PubMed ID: 20128586
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Equation-of-motion coupled-cluster study on exciton states of polyethylene with periodic boundary condition.
    Katagiri H
    J Chem Phys; 2005 Jun; 122(22):224901. PubMed ID: 15974710
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Active-Space Equation-of-Motion Coupled-Cluster Methods through Quadruples for Excited, Ionized, and Electron-Attached States.
    Fan PD; Kamiya M; Hirata S
    J Chem Theory Comput; 2007 May; 3(3):1036-46. PubMed ID: 26627422
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Reference Energies for Double Excitations.
    Loos PF; Boggio-Pasqua M; Scemama A; Caffarel M; Jacquemin D
    J Chem Theory Comput; 2019 Mar; 15(3):1939-1956. PubMed ID: 30689951
    [TBL] [Abstract][Full Text] [Related]  

  • 30. 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]  

  • 31. Charge-transfer separability and size-extensivity in the equation-of-motion coupled cluster method: EOM-CCx.
    Musiał M; Bartlett RJ
    J Chem Phys; 2011 Jan; 134(3):034106. PubMed ID: 21261329
    [TBL] [Abstract][Full Text] [Related]  

  • 32. 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]  

  • 33. 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]  

  • 34. Molecular structures and energetics of the (TiO2)n (n = 1-4) clusters and their anions.
    Li S; Dixon DA
    J Phys Chem A; 2008 Jul; 112(29):6646-66. PubMed ID: 18578514
    [TBL] [Abstract][Full Text] [Related]  

  • 35. CCSD[T] Describes Noncovalent Interactions Better than the CCSD(T), CCSD(TQ), and CCSDT Methods.
    Řezáč J; Šimová L; Hobza P
    J Chem Theory Comput; 2013 Jan; 9(1):364-9. PubMed ID: 26589039
    [TBL] [Abstract][Full Text] [Related]  

  • 36. The intermediate state approach for doubly excited dark states in EOM-coupled-cluster theory.
    Ravi M; Park YC; Perera A; Bartlett RJ
    J Chem Phys; 2022 May; 156(20):201102. PubMed ID: 35649829
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Equation of motion coupled-cluster for core excitation spectra: Two complementary approaches.
    Park YC; Perera A; Bartlett RJ
    J Chem Phys; 2019 Oct; 151(16):164117. PubMed ID: 31675901
    [TBL] [Abstract][Full Text] [Related]  

  • 38. 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]  

  • 39. Assessment of low-scaling approximations to the equation of motion coupled-cluster singles and doubles equations.
    Goings JJ; Caricato M; Frisch MJ; Li X
    J Chem Phys; 2014 Oct; 141(16):164116. PubMed ID: 25362281
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Accurate Core-Excited States via Inclusion of Core Triple Excitations in Similarity-Transformed Equation-of-Motion Theory.
    Simons M; Matthews DA
    J Chem Theory Comput; 2022 Jun; 18(6):3759-3765. PubMed ID: 35536592
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 12.