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 *

129 related articles for article (PubMed ID: 32379442)

  • 1. 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]  

  • 2. 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]  

  • 3. A Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Bicyclic Systems.
    Loos PF; Jacquemin D
    J Phys Chem A; 2021 Dec; 125(47):10174-10188. PubMed ID: 34792354
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks.
    Loos PF; Scemama A; Blondel A; Garniron Y; Caffarel M; Jacquemin D
    J Chem Theory Comput; 2018 Aug; 14(8):4360-4379. PubMed ID: 29966098
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Reference Energies for Intramolecular Charge-Transfer Excitations.
    Loos PF; Comin M; Blase X; Jacquemin D
    J Chem Theory Comput; 2021 Jun; 17(6):3666-3686. PubMed ID: 33955742
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Cross-Comparisons between Experiment, TD-DFT, CC, and ADC for Transition Energies.
    Suellen C; Freitas RG; Loos PF; Jacquemin D
    J Chem Theory Comput; 2019 Aug; 15(8):4581-4590. PubMed ID: 31265781
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Mountaineering Strategy to Excited States: Highly Accurate Oscillator Strengths and Dipole Moments of Small Molecules.
    Chrayteh A; Blondel A; Loos PF; Jacquemin D
    J Chem Theory Comput; 2021 Jan; 17(1):416-438. PubMed ID: 33256412
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. 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]  

  • 11. Is ADC(3) as Accurate as CC3 for Valence and Rydberg Transition Energies?
    Loos PF; Jacquemin D
    J Phys Chem Lett; 2020 Feb; 11(3):974-980. PubMed ID: 31913639
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. 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]  

  • 14. 0-0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds.
    Jacquemin D; Duchemin I; Blase X
    J Chem Theory Comput; 2015 Nov; 11(11):5340-59. PubMed ID: 26574326
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Chemically Accurate 0-0 Energies with Not-so-Accurate Excited State Geometries.
    Loos PF; Jacquemin D
    J Chem Theory Comput; 2019 Apr; 15(4):2481-2491. PubMed ID: 30802404
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation Energies.
    Dutta AK; Nooijen M; Neese F; Izsák R
    J Chem Theory Comput; 2018 Jan; 14(1):72-91. PubMed ID: 29206453
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Benchmarking coupled cluster methods on singlet excited states of nucleobases.
    Kánnár D; Szalay PG
    J Mol Model; 2014 Nov; 20(11):2503. PubMed ID: 25394400
    [TBL] [Abstract][Full Text] [Related]  

  • 19. What is the Key for Accurate Absorption and Emission Calculations, Energy or Geometry?
    Jacquemin D
    J Chem Theory Comput; 2018 Mar; 14(3):1534-1543. PubMed ID: 29365256
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Critical Assessment of TD-DFT for Excited States of Open-Shell Systems: I. Doublet-Doublet Transitions.
    Li Z; Liu W
    J Chem Theory Comput; 2016 Jan; 12(1):238-60. PubMed ID: 26672389
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.