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: 25350349)

  • 1. TDDFT assessment of functionals for optical 0-0 transitions in small radicals.
    Barnes L; Abdul-Al S; Allouche AR
    J Phys Chem A; 2014 Nov; 118(46):11033-46. PubMed ID: 25350349
    [TBL] [Abstract][Full Text] [Related]  

  • 2. TD-DFT Assessment of Functionals for Optical 0-0 Transitions in Solvated Dyes.
    Jacquemin D; Planchat A; Adamo C; Mennucci B
    J Chem Theory Comput; 2012 Jul; 8(7):2359-72. PubMed ID: 26588969
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Appropriate description of intermolecular interactions in the methane hydrates: an assessment of DFT methods.
    Liu Y; Zhao J; Li F; Chen Z
    J Comput Chem; 2013 Jan; 34(2):121-31. PubMed ID: 22949382
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Theoretical study on the stability of double-decker type metal phthalocyanines, M(Pc)2 and M(Pc)2(+) (M = Ti, Sn and Sc): a critical assessment on the performance of density functionals.
    Sumimoto M; Kawashima Y; Hori K; Fujimoto H
    Phys Chem Chem Phys; 2015 Mar; 17(9):6478-83. PubMed ID: 25656639
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Assessment of the performance of long-range-corrected density functionals for calculating the absorption spectra of silver clusters.
    Rabilloud F
    J Phys Chem A; 2013 May; 117(20):4267-78. PubMed ID: 23638637
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Density functional theory assessment of molecular structures and energies of neutral and anionic Al(n) (n = 2-10) clusters.
    Paranthaman S; Hong K; Kim J; Kim DE; Kim TK
    J Phys Chem A; 2013 Sep; 117(38):9293-303. PubMed ID: 24028335
    [TBL] [Abstract][Full Text] [Related]  

  • 8. TD-CI simulation of the electronic optical response of molecules in intense fields II: comparison of DFT functionals and EOM-CCSD.
    Sonk JA; Schlegel HB
    J Phys Chem A; 2011 Oct; 115(42):11832-40. PubMed ID: 21923137
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. How does LCDFT compare to SAC-CI for the treatment of valence and Rydberg excited states of organic compounds?
    Alipour M
    J Phys Chem A; 2014 Mar; 118(9):1741-7. PubMed ID: 24559047
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Assessment of DFT methods for studying acid gas capture by ionic liquids.
    García G; Atilhan M; Aparicio S
    Phys Chem Chem Phys; 2015 Oct; 17(40):26875-91. PubMed ID: 26399898
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Optical absorption spectra of gold clusters Au(n) (n = 4, 6, 8,12, 20) from long-range corrected functionals with optimal tuning.
    Koppen JV; Hapka M; Szczęśniak MM; Chałasiński G
    J Chem Phys; 2012 Sep; 137(11):114302. PubMed ID: 22998257
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Computational methodology study of the optical and thermochemical properties of a molecular photoswitch.
    Olsen ST; Elm J; Storm FE; Gejl AN; Hansen AS; Hansen MH; Nikolajsen JR; Nielsen MB; Kjaergaard HG; Mikkelsen KV
    J Phys Chem A; 2015 Feb; 119(5):896-904. PubMed ID: 25569127
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Time-dependent density functional theory assessment of UV absorption of benzoic acid derivatives.
    Guo HB; He F; Gu B; Liang L; Smith JC
    J Phys Chem A; 2012 Dec; 116(48):11870-9. PubMed ID: 23134517
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Performance of the M11 and M11-L density functionals for calculations of electronic excitation energies by adiabatic time-dependent density functional theory.
    Peverati R; Truhlar DG
    Phys Chem Chem Phys; 2012 Aug; 14(32):11363-70. PubMed ID: 22801459
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Performance of a nonempirical meta-generalized gradient approximation density functional for excitation energies.
    Tao J; Tretiak S; Zhu JX
    J Chem Phys; 2008 Feb; 128(8):084110. PubMed ID: 18315036
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Assessment of density functionals with long-range and/or empirical dispersion corrections for conformational energy calculations of peptides.
    Kang YK; Byun BJ
    J Comput Chem; 2010 Dec; 31(16):2915-23. PubMed ID: 20564333
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Beyond Explored Functionals: A Computational Journey of Two-Photon Absorption.
    Elayan IA; Rib L; A Mendes R; Brown A
    J Chem Theory Comput; 2024 May; 20(9):3879-3893. PubMed ID: 38648613
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Electronic spectroscopy of UO2(2+), NUO(+) and NUN: an evaluation of time-dependent density functional theory for actinides.
    Tecmer P; Gomes AS; Ekström U; Visscher L
    Phys Chem Chem Phys; 2011 Apr; 13(13):6249-59. PubMed ID: 21359301
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Assessment of new DFT methods for predicting vibrational spectra and structure of cisplatin: which density functional should we choose for studying platinum(II) complexes?
    Malik M; Michalska D
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 May; 125():431-9. PubMed ID: 24583852
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.