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 *

490 related articles for article (PubMed ID: 18397056)

  • 1. Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3.
    Schreiber M; Silva-Junior MR; Sauer SP; Thiel W
    J Chem Phys; 2008 Apr; 128(13):134110. PubMed ID: 18397056
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Benchmarks of electronically excited states: basis set effects on CASPT2 results.
    Silva-Junior MR; Schreiber M; Sauer SP; Thiel W
    J Chem Phys; 2010 Nov; 133(17):174318. PubMed ID: 21054043
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods: CCSDR(3) versus CC3.
    Sauer SP; Schreiber M; Silva-Junior MR; Thiel W
    J Chem Theory Comput; 2009 Mar; 5(3):555-64. PubMed ID: 26610222
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Block correlated coupled cluster method with the complete active-space self-consistent-field reference function: Applications for low-lying electronic excited states.
    Shen J; Li S
    J Chem Phys; 2009 Nov; 131(17):174101. PubMed ID: 19894992
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Benchmarks for electronically excited states: time-dependent density functional theory and density functional theory based multireference configuration interaction.
    Silva-Junior MR; Schreiber M; Sauer SP; Thiel W
    J Chem Phys; 2008 Sep; 129(10):104103. PubMed ID: 19044904
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Benchmarking Coupled Cluster Methods on Valence Singlet Excited States.
    Kánnár D; Szalay PG
    J Chem Theory Comput; 2014 Sep; 10(9):3757-65. PubMed ID: 26588520
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Assessment of n-Electron Valence State Perturbation Theory for Vertical Excitation Energies.
    Schapiro I; Sivalingam K; Neese F
    J Chem Theory Comput; 2013 Aug; 9(8):3567-80. PubMed ID: 26584112
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. A Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Medium Sized Molecules.
    Loos PF; Lipparini F; Boggio-Pasqua M; Scemama A; Jacquemin D
    J Chem Theory Comput; 2020 Mar; 16(3):1711-1741. PubMed ID: 31986042
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Benchmarking the performance of spin-component scaled CC2 in ground and electronically excited states.
    Hellweg A; Grün SA; Hättig C
    Phys Chem Chem Phys; 2008 Jul; 10(28):4119-27. PubMed ID: 18612515
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Theoretical investigation of anthracene-9,10-endoperoxide vertical singlet and triplet excitation spectra.
    Corral I; González L
    J Comput Chem; 2008 Sep; 29(12):1982-91. PubMed ID: 18366030
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Coupled-cluster calculations of the lowest 0-0 bands of the electronic excitation spectrum of naphthalene.
    Fliegl H; Sundholm D
    Phys Chem Chem Phys; 2014 Jun; 16(21):9859-65. PubMed ID: 24406689
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Benchmark studies on the building blocks of DNA. 1. Superiority of coupled cluster methods in describing the excited states of nucleobases in the Franck-Condon region.
    Szalay PG; Watson T; Perera A; Lotrich VF; Bartlett RJ
    J Phys Chem A; 2012 Jun; 116(25):6702-10. PubMed ID: 22587574
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Benchmarks for 0-0 transitions of aromatic organic molecules: DFT/B3LYP, ADC(2), CC2, SOS-CC2 and SCS-CC2 compared to high-resolution gas-phase data.
    Winter NO; Graf NK; Leutwyler S; Hättig C
    Phys Chem Chem Phys; 2013 May; 15(18):6623-30. PubMed ID: 23111753
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Quantum-chemical investigation of the structures and electronic spectra of the nucleic acid bases at the coupled cluster CC2 level.
    Fleig T; Knecht S; Hättig C
    J Phys Chem A; 2007 Jun; 111(25):5482-91. PubMed ID: 17542561
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Benchmarking second order methods for the calculation of vertical electronic excitation energies: valence and Rydberg states in polycyclic aromatic hydrocarbons.
    Falden HH; Falster-Hansen KR; Bak KL; Rettrup S; Sauer SP
    J Phys Chem A; 2009 Oct; 113(43):11995-2012. PubMed ID: 19780572
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study.
    Sauri V; Serrano-Andrés L; Shahi AR; Gagliardi L; Vancoillie S; Pierloot K
    J Chem Theory Comput; 2011 Jan; 7(1):153-68. PubMed ID: 26606229
    [TBL] [Abstract][Full Text] [Related]  

  • 19. High-order correlation effects on dynamic hyperpolarizabilities and their geometric derivatives: a comparison with density functional results.
    Pecul M; Pawłowski F; Jorgensen P; Köhn A; Hättig C
    J Chem Phys; 2006 Mar; 124(11):114101. PubMed ID: 16555868
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Implementation of transition moments between excited states in the approximate coupled-cluster singles and doubles model.
    Pabst M; Köhn A
    J Chem Phys; 2008 Dec; 129(21):214101. PubMed ID: 19063538
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 25.