BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

124 related articles for article (PubMed ID: 31187994)

  • 1. Prediction of Excited-State Properties of Oligoacene Crystals Using Fragment-Based Quantum Mechanical Method.
    Liu J; Sun H; Glover WJ; He X
    J Phys Chem A; 2019 Jul; 123(26):5407-5417. PubMed ID: 31187994
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Fragment-Based Quantum Mechanical Calculation of Excited-State Properties of Fluorescent RNAs.
    Shen C; Wang X; He X
    Front Chem; 2021; 9():801062. PubMed ID: 35004616
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Prediction of excited-state properties of oligoacene crystals using polarizable continuum model-tuned range-separated hybrid functional approach.
    Hu Z; Zhou B; Sun Z; Sun H
    J Comput Chem; 2017 Apr; 38(9):569-575. PubMed ID: 28101898
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Accurate prediction of energetic properties of ionic liquid clusters using a fragment-based quantum mechanical method.
    Liu J; He X
    Phys Chem Chem Phys; 2017 Aug; 19(31):20657-20666. PubMed ID: 28737802
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Fragment Quantum Mechanical Method for Large-Sized Ion-Water Clusters.
    Liu J; Qi LW; Zhang JZH; He X
    J Chem Theory Comput; 2017 May; 13(5):2021-2034. PubMed ID: 28379695
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Fragment quantum mechanical calculation of proteins and its applications.
    He X; Zhu T; Wang X; Liu J; Zhang JZ
    Acc Chem Res; 2014 Sep; 47(9):2748-57. PubMed ID: 24851673
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Fragment-based quantum mechanical approach to biomolecules, molecular clusters, molecular crystals and liquids.
    Liu J; He X
    Phys Chem Chem Phys; 2020 Jun; 22(22):12341-12367. PubMed ID: 32459230
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Quantitative Prediction of Aggregation-Induced Emission: A Full Quantum Mechanical Approach to the Optical Spectra.
    Zhang W; Liu J; Jin X; Gu X; Zeng XC; He X; Li H
    Angew Chem Int Ed Engl; 2020 Jul; 59(28):11550-11555. PubMed ID: 32167638
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Electrostatically embedded generalized molecular fractionation with conjugate caps method for full quantum mechanical calculation of protein energy.
    Wang X; Liu J; Zhang JZ; He X
    J Phys Chem A; 2013 Aug; 117(32):7149-61. PubMed ID: 23452268
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Theoretical Assessment of Excited State Gradients and Resonance Raman Intensities for the Azobenzene Molecule.
    Staniszewska M; Kupfer S; Łabuda M; Guthmuller J
    J Chem Theory Comput; 2017 Mar; 13(3):1263-1274. PubMed ID: 28118003
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Impact of ground- and excited-state aromaticity on cyclopentadiene and silole excitation energies and excited-state polarities.
    Jorner K; Emanuelsson R; Dahlstrand C; Tong H; Denisova AV; Ottosson H
    Chemistry; 2014 Jul; 20(30):9295-303. PubMed ID: 25043523
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Benchmarking Density Functional Approximations for Excited-State Properties of Fluorescent Dyes.
    Grabarz AM; Ośmiałowski B
    Molecules; 2021 Dec; 26(24):. PubMed ID: 34946515
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Fragment Quantum Mechanical Method for Excited States of Proteins: Development and Application to the Green Fluorescent Protein.
    Jin X; Glover WJ; He X
    J Chem Theory Comput; 2020 Aug; 16(8):5174-5188. PubMed ID: 32551640
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Assessment of Ab Initio and Density Functional Theory Methods for the Excitations of Donor-Acceptor Complexes: The Case of the Benzene-Tetracyanoethylene Model.
    Xu P; Zhang CR; Wang W; Gong JJ; Liu ZJ; Chen HS
    Int J Mol Sci; 2018 Apr; 19(4):. PubMed ID: 29642604
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Ab initio theoretical reinvestigation of the ground and excited state properties of silylated coumarins: Good candidates for solid state dye lasers and dye-sensitized solar cells.
    Jain VK
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Nov; 150():806-13. PubMed ID: 26112104
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Singlet and triplet excited states and intersystem crossing in free-base porphyrin: TDDFT and DFT/MRCI study.
    Perun S; Tatchen J; Marian CM
    Chemphyschem; 2008 Feb; 9(2):282-92. PubMed ID: 18189251
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Intermediate state representation approach to physical properties of electronically excited molecules.
    Schirmer J; Trofimov AB
    J Chem Phys; 2004 Jun; 120(24):11449-64. PubMed ID: 15268179
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Reliable Prediction with Tuned Range-Separated Functionals of the Singlet-Triplet Gap in Organic Emitters for Thermally Activated Delayed Fluorescence.
    Sun H; Zhong C; Brédas JL
    J Chem Theory Comput; 2015 Aug; 11(8):3851-8. PubMed ID: 26574466
    [TBL] [Abstract][Full Text] [Related]  

  • 20. TADF Material Design: Photophysical Background and Case Studies Focusing on Cu
    Yersin H; Czerwieniec R; Shafikov MZ; Suleymanova AF
    Chemphyschem; 2017 Dec; 18(24):3508-3535. PubMed ID: 29083512
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.