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 *

185 related articles for article (PubMed ID: 31265781)

  • 21. Reference Energies for Cyclobutadiene: Automerization and Excited States.
    Monino E; Boggio-Pasqua M; Scemama A; Jacquemin D; Loos PF
    J Phys Chem A; 2022 Jul; 126(28):4664-4679. PubMed ID: 35820169
    [TBL] [Abstract][Full Text] [Related]  

  • 22. 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]  

  • 23. 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]  

  • 24. 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]  

  • 25. 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]  

  • 26. Excited State Geometries and Vertical Emission Energies of Solvated Dyes for DSSC: A PCM/TD-DFT Benchmark Study.
    Bernini C; Zani L; Calamante M; Reginato G; Mordini A; Taddei M; Basosi R; Sinicropi A
    J Chem Theory Comput; 2014 Sep; 10(9):3925-33. PubMed ID: 26588536
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Quantifying the Performances of DFT for Predicting Vibrationally Resolved Optical Spectra: Asymmetric Fluoroborate Dyes as Working Examples.
    Bednarska J; Zaleśny R; Bartkowiak W; Ośmiałowski B; Medved' M; Jacquemin D
    J Chem Theory Comput; 2017 Sep; 13(9):4347-4356. PubMed ID: 28777575
    [TBL] [Abstract][Full Text] [Related]  

  • 28. XABOOM: An X-ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s → π* Transitions.
    Fransson T; Brumboiu IE; Vidal ML; Norman P; Coriani S; Dreuw A
    J Chem Theory Comput; 2021 Mar; 17(3):1618-1637. PubMed ID: 33544612
    [TBL] [Abstract][Full Text] [Related]  

  • 29. 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]  

  • 30. Benchmark Calculations of K-Edge Ionization Energies for First-Row Elements Using Scalar-Relativistic Core-Valence-Separated Equation-of-Motion Coupled-Cluster Methods.
    Liu J; Matthews D; Coriani S; Cheng L
    J Chem Theory Comput; 2019 Mar; 15(3):1642-1651. PubMed ID: 30702889
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Computational tests of quantum chemical models for excited and ionized states of molecules with phosphorus and sulfur atoms.
    Hahn DK; RaghuVeer K; Ortiz JV
    J Phys Chem A; 2014 May; 118(19):3514-24. PubMed ID: 24779512
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Bethe-Salpeter study of cationic dyes: Comparisons with ADC(2) and TD-DFT.
    Azarias C; Duchemin I; Blase X; Jacquemin D
    J Chem Phys; 2017 Jan; 146(3):034301. PubMed ID: 28109224
    [TBL] [Abstract][Full Text] [Related]  

  • 33. TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes:  Conventional versus Long-Range Hybrids.
    Jacquemin D; Perpète EA; Scuseria GE; Ciofini I; Adamo C
    J Chem Theory Comput; 2008 Jan; 4(1):123-35. PubMed ID: 26619986
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Improving the Accuracy of Excited-State Simulations of BODIPY and Aza-BODIPY Dyes with a Joint SOS-CIS(D) and TD-DFT Approach.
    Chibani S; Laurent AD; Le Guennic B; Jacquemin D
    J Chem Theory Comput; 2014 Oct; 10(10):4574-82. PubMed ID: 26588151
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Excited states of ladder-type π-conjugated dyes with a joint SOS-CIS(D) and PCM-TD-DFT approach.
    Chibani S; Laurent AD; Le Guennic B; Jacquemin D
    J Phys Chem A; 2015 May; 119(21):5417-25. PubMed ID: 25522826
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Benchmarking Correlated Methods for Frequency-Dependent Polarizabilities: Aromatic Molecules with the CC3, CCSD, CC2, SOPPA, SOPPA(CC2), and SOPPA(CCSD) Methods.
    Jørgensen MW; Faber R; Ligabue A; Sauer SPA
    J Chem Theory Comput; 2020 May; 16(5):3006-3018. PubMed ID: 32302474
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory Calculations.
    Trogolo D; Arey JS; Tentscher PR
    J Phys Chem A; 2019 Jan; 123(2):517-536. PubMed ID: 30607948
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Benchmark of Bethe-Salpeter for Triplet Excited-States.
    Jacquemin D; Duchemin I; Blondel A; Blase X
    J Chem Theory Comput; 2017 Feb; 13(2):767-783. PubMed ID: 28107000
    [TBL] [Abstract][Full Text] [Related]  

  • 39. 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]  

  • 40. Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. I. C60, C59N+, and C48N12: theory and experiment.
    Xie RH; Bryant GW; Sun G; Nicklaus MC; Heringer D; Frauenheim T; Manaa MR; Smith VH; Araki Y; Ito O
    J Chem Phys; 2004 Mar; 120(11):5133-47. PubMed ID: 15267383
    [TBL] [Abstract][Full Text] [Related]  

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