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 *

137 related articles for article (PubMed ID: 22754601)

  • 1. A Quantum Chemical Study of the Ground and Excited State Electronic Structures of Carbazole Oligomers with and without Triarylborane Substitutes.
    Zhang S; Qu Z; Tao P; Brooks B; Shao Y; Chen X; Liu C
    J Phys Chem C Nanomater Interfaces; 2012 Jun; 116(23):12434-12442. PubMed ID: 22754601
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Theoretical studies on the electronic and optical properties of two new alternating fluorene/carbazole copolymers.
    Yang L; Feng JK; Ren AM
    J Comput Chem; 2005 Jul; 26(10):969-79. PubMed ID: 15880802
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Quantum Chemical Investigation of Light-Activated Spin State Change in Pyrene Coupled to Oxoverdazyl Radical Center.
    Sadhukhan T; Datta A; Datta SN
    J Phys Chem A; 2015 Sep; 119(35):9414-24. PubMed ID: 26291476
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Dependence of Excited State Potential Energy Surfaces on the Spatial Overlap of the Kohn-Sham Orbitals and the Amount of Nonlocal Hartree-Fock Exchange in Time-Dependent Density Functional Theory.
    Plötner J; Tozer DJ; Dreuw A
    J Chem Theory Comput; 2010 Aug; 6(8):2315-24. PubMed ID: 26613488
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Benchmarking the Performance of Time-Dependent Density Functional Theory Methods on Biochromophores.
    Shao Y; Mei Y; Sundholm D; Kaila VRI
    J Chem Theory Comput; 2020 Jan; 16(1):587-600. PubMed ID: 31815476
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A DFT Study on the Excited Electronic States of Cyanopolyynes: Benchmarks and Applications.
    Gronowski M; Kołos R
    Molecules; 2022 Sep; 27(18):. PubMed ID: 36144567
    [TBL] [Abstract][Full Text] [Related]  

  • 7. The excited states of pi-stacked 9-methyladenine oligomers: a TD-DFT study in aqueous solution.
    Improta R
    Phys Chem Chem Phys; 2008 May; 10(19):2656-64. PubMed ID: 18464980
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Beyond Time-Dependent Density Functional Theory Using Only Single Excitations: Methods for Computational Studies of Excited States in Complex Systems.
    Herbert JM; Zhang X; Morrison AF; Liu J
    Acc Chem Res; 2016 May; 49(5):931-41. PubMed ID: 27100899
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Excited state properties, fluorescence energies, and lifetimes of a poly(fluorene-phenylene), based on TD-DFT investigation.
    Chidthong R; Hannongbua S
    J Comput Chem; 2010 May; 31(7):1450-7. PubMed ID: 19862813
    [TBL] [Abstract][Full Text] [Related]  

  • 11. From short conjugated oligomers to conjugated polymers. Lessons from studies on long conjugated oligomers.
    Zade SS; Zamoshchik N; Bendikov M
    Acc Chem Res; 2011 Jan; 44(1):14-24. PubMed ID: 20942477
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Theoretical investigations of the electronic structures of carbazole-based triphenylphosphine oxide derivatives, potential bipolar host materials in blue-phosphorescent devices.
    Sun H; Shen W; Zhang X; Zhang D; Li M
    J Mol Model; 2015 Dec; 21(12):320. PubMed ID: 26631073
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Assessing the Performance of DFT Functionals for Excited-State Properties of Pyridine-Thiophene Oligomers.
    Mahato B; Panda AN
    J Phys Chem A; 2021 Jan; 125(1):115-125. PubMed ID: 33353306
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Structural and electronic properties of polyacetylene and polyyne from hybrid and Coulomb-attenuated density functionals.
    Peach MJ; Tellgren EI; Sałek P; Helgaker T; Tozer DJ
    J Phys Chem A; 2007 Nov; 111(46):11930-5. PubMed ID: 17963369
    [TBL] [Abstract][Full Text] [Related]  

  • 15. UV-Visible Lysine-Glutamate Dimer Excitations in Protein Charge Transfer Spectra: TDDFT Descriptions Using an Optimally Tuned CAM-B3LYP Functional.
    Mandal I; Manna S; Venkatramani R
    J Phys Chem B; 2019 Dec; 123(51):10967-10979. PubMed ID: 31763835
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Density functional and spin-orbit ab initio study of CF3Br: molecular properties and electronic curve crossing.
    Kim J; Kim TK; Ihee H
    J Phys Chem A; 2011 Feb; 115(7):1264-71. PubMed ID: 21271728
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Can Range-Separated and Hybrid DFT Functionals Predict Low-Lying Excitations? A Tookad Case Study.
    Tian B; Eriksson ES; Eriksson LA
    J Chem Theory Comput; 2010 Jul; 6(7):2086-94. PubMed ID: 26615936
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Re and Br X-ray absorption near-edge structure study of the ground and excited states of [ReBr(CO)3(bpy)] interpreted by DFT and TD-DFT calculations.
    Záliš S; Milne CJ; El Nahhas A; Blanco-Rodríguez AM; van der Veen RM; Vlček A
    Inorg Chem; 2013 May; 52(10):5775-85. PubMed ID: 23631457
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Theoretical analysis of excited states and energy transfer mechanism in conjugated dendrimers.
    Huang J; Du L; Hu D; Lan Z
    J Comput Chem; 2015 Jan; 36(3):151-63. PubMed ID: 25413342
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Computational Prediction of Structures and Optical Excitations for Nanoscale Ultrasmall ZnS and CdSe Clusters.
    Nguyen KA; Pachter R; Day PN
    J Chem Theory Comput; 2013 Aug; 9(8):3581-96. PubMed ID: 26584113
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.