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 *

199 related articles for article (PubMed ID: 26610222)

  • 21. The third-order algebraic diagrammatic construction method (ADC(3)) for the polarization propagator for closed-shell molecules: efficient implementation and benchmarking.
    Harbach PH; Wormit M; Dreuw A
    J Chem Phys; 2014 Aug; 141(6):064113. PubMed ID: 25134557
    [TBL] [Abstract][Full Text] [Related]  

  • 22. 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]  

  • 23. Excitation Energies with Cost-Reduced Variant of the Active-Space EOMCCSDT Method: The EOMCCSDt-3̅ Approach.
    Hu HS; Kowalski K
    J Chem Theory Comput; 2013 Nov; 9(11):4761-8. PubMed ID: 26583394
    [TBL] [Abstract][Full Text] [Related]  

  • 24. 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]  

  • 25. 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]  

  • 26. Linear response coupled cluster singles and doubles approach with modified spectral resolution of the similarity transformed Hamiltonian.
    Kowalski K; Hammond JR; de Jong WA
    J Chem Phys; 2007 Oct; 127(16):164105. PubMed ID: 17979317
    [TBL] [Abstract][Full Text] [Related]  

  • 27. 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]  

  • 28. Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Exotic Molecules and Radicals.
    Loos PF; Scemama A; Boggio-Pasqua M; Jacquemin D
    J Chem Theory Comput; 2020 Jun; 16(6):3720-3736. PubMed ID: 32379442
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Noniterative Doubles Corrections to the Random Phase and Higher Random Phase Approximations: Singlet and Triplet Excitation Energies.
    Haase PAB; Faber R; Provasi PF; Sauer SPA
    J Comput Chem; 2020 Jan; 41(1):43-55. PubMed ID: 31576598
    [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. Accurate Excited-State Geometries: A CASPT2 and Coupled-Cluster Reference Database for Small Molecules.
    Budzák Š; Scalmani G; Jacquemin D
    J Chem Theory Comput; 2017 Dec; 13(12):6237-6252. PubMed ID: 29140697
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Asymmetric-Lanczos-Chain-Driven Implementation of Electronic Resonance Convergent Coupled-Cluster Linear Response Theory.
    Coriani S; Fransson T; Christiansen O; Norman P
    J Chem Theory Comput; 2012 May; 8(5):1616-28. PubMed ID: 26593655
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Benchmarks for Electronically Excited States with CASSCF Methods.
    Helmich-Paris B
    J Chem Theory Comput; 2019 Jul; 15(7):4170-4179. PubMed ID: 31136706
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Benchmark of Electronically Excited States for Semiempirical Methods: MNDO, AM1, PM3, OM1, OM2, OM3, INDO/S, and INDO/S2.
    Silva-Junior MR; Thiel W
    J Chem Theory Comput; 2010 May; 6(5):1546-64. PubMed ID: 26615690
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Coupled cluster and density functional studies on geometries and energies of excited C(2v) states of ozone.
    Grein F
    J Chem Phys; 2009 Mar; 130(12):124118. PubMed ID: 19334819
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Investigation of the Impact of Different Terms in the Second Order Hamiltonian on Excitation Energies of Valence and Rydberg States.
    Tajti A; Szalay PG
    J Chem Theory Comput; 2016 Nov; 12(11):5477-5482. PubMed ID: 27715029
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Approximate Inclusion of Triple Excitations in Combined Coupled Cluster/Molecular Mechanics: Calculations of Electronic Excitation Energies in Solution for Acrolein, Water, Formamide, and N-Methylacetamide.
    Sneskov K; Matito E; Kongsted J; Christiansen O
    J Chem Theory Comput; 2010 Mar; 6(3):839-50. PubMed ID: 26613311
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Benchmarking the Approximate Second-Order Coupled-Cluster Method on Biochromophores.
    Send R; Kaila VR; Sundholm D
    J Chem Theory Comput; 2011 Aug; 7(8):2473-84. PubMed ID: 26606621
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Role of Singles Amplitudes in ADC(2) and CC2 for Low-Lying Electronically Excited States.
    Sülzner N; Hättig C
    J Chem Theory Comput; 2024 Mar; 20(6):2462-2474. PubMed ID: 38449383
    [TBL] [Abstract][Full Text] [Related]  

  • 40. General-model-space state-universal coupled-cluster methods for excited states: diagonal noniterative triple corrections.
    Li X; Paldus J
    J Chem Phys; 2006 Jan; 124(3):034112. PubMed ID: 16438572
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 10.