BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

163 related articles for article (PubMed ID: 28315081)

  • 21. Molecular structure, vibrational spectra, NLO and MEP analysis of bis[2-hydroxy-кO-N-(2-pyridyl)-1-naphthaldiminato-кN]zinc(II).
    Tanak H; Toy M
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():145-53. PubMed ID: 23832222
    [TBL] [Abstract][Full Text] [Related]  

  • 22. First principles study for the key electronic, optical and nonlinear optical properties of novel donor-acceptor chalcones.
    Muhammad S; Al-Sehemi AG; Su Z; Xu H; Irfan A; Chaudhry AR
    J Mol Graph Model; 2017 Mar; 72():58-69. PubMed ID: 28064080
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Designing of gigantic first-order hyperpolarizability molecules via joining the promising organic fragments: a DFT study.
    Kumar R; Yadav SK; Seth R; Singh A
    J Mol Model; 2022 Dec; 29(1):5. PubMed ID: 36481956
    [TBL] [Abstract][Full Text] [Related]  

  • 24. The equilibrium structures, vibrational spectra, NLO and directional properties of transition dipole moments of diguanidinium arsenate monohydrate and diguanidinium phosphate monohydrate. The theoretical DFT calculations.
    Drozd M
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Dec; 65(5):1069-86. PubMed ID: 16716645
    [TBL] [Abstract][Full Text] [Related]  

  • 25. The calculation of the static first and second susceptibilities of crystalline urea: A comparison of Hartree-Fock and density functional theory results obtained with the periodic coupled perturbed Hartree-Fock/Kohn-Sham scheme.
    Ferrero M; Civalleri B; Rérat M; Orlando R; Dovesi R
    J Chem Phys; 2009 Dec; 131(21):214704. PubMed ID: 19968357
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Investigation of NLO Properties of Fluorescent BORICO Dyes: a Comprehensive Experimental and Theoretical Approach.
    Erande Y; Warde U; Sekar N
    J Fluoresc; 2017 Nov; 27(6):2253-2262. PubMed ID: 28831643
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Performance of Hybrid DFT Compared to MP2 Methods in Calculating Nonlinear Optical Properties of Divinylpyrene Derivative Molecules.
    Zouaoui-Rabah M; Sekkal-Rahal M; Djilani-Kobibi F; Elhorri AM; Springborg M
    J Phys Chem A; 2016 Nov; 120(44):8843-8852. PubMed ID: 27749050
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Supramolecular step in design of nonlinear optical materials: Effect of π...π stacking aggregation on hyperpolarizability.
    Suponitsky KY; Masunov AE
    J Chem Phys; 2013 Sep; 139(9):094310. PubMed ID: 24028120
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Insights into the nonlinear optical (NLO) response of pure Aum (2 ≥
    Hussain F; Hussain R; Adnan M; Muhammad S; Irshad Z; Khan MU; Yaqoob J; Ayub K
    RSC Adv; 2022 Sep; 12(39):25143-25153. PubMed ID: 36199323
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Electron Donor and Acceptor Influence on the Nonlinear Optical Response of Diacetylene-Functionalized Organic Materials (DFOMs): Density Functional Theory Calculations.
    Khalid M; Hussain R; Hussain A; Ali B; Jaleel F; Imran M; Assiri MA; Khan MU; Ahmed S; Abid S; Haq S; Saleem K; Majeed S; Tariq CJ
    Molecules; 2019 Jun; 24(11):. PubMed ID: 31159484
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Electron correlation effects and density analysis of the first-order hyperpolarizability of neutral guanine tautomers.
    Alparone A
    J Mol Model; 2013 Aug; 19(8):3095-102. PubMed ID: 23605138
    [TBL] [Abstract][Full Text] [Related]  

  • 32. How does hybrid bridging core modification enhance the nonlinear optical properties in donor-π-acceptor configuration? A case study of dinitrophenol derivatives.
    Muhammad S; Irfan A; Shkir M; Chaudhry AR; Kalam A; AlFaify S; Al-Sehemi AG; Al-Salami AE; Yahia IS; Xu HL; Su ZM
    J Comput Chem; 2015 Jan; 36(2):118-28. PubMed ID: 25382405
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Effect of spirocyclization of xanthene dyes on linear and nonlinear optical properties by considering D-π-A and D-A-D Systems: DFT and TD-DFT approach.
    Khan Z; Sekar N
    Spectrochim Acta A Mol Biomol Spectrosc; 2024 Jun; 314():124183. PubMed ID: 38554693
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Second-order nonlinear optical properties of dithienophenazine and TTF derivatives: A butterfly effect of dimalononitrile substitutions.
    Muhammad S
    J Mol Graph Model; 2015 Jun; 59():14-20. PubMed ID: 25863481
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Second-order nonlinear optical properties of two chalcone derivatives: insights from sum-over-states.
    Custodio JMF; D'Oliveira GDC; Gotardo F; Cocca LHZ; de Boni L; Perez CN; Napolitano HB; Osorio FAP; Valverde C
    Phys Chem Chem Phys; 2021 Mar; 23(10):6128-6140. PubMed ID: 33684185
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
    J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Third-Order Nonlinear Optical Properties of a Carboxylic Acid Derivative.
    Valverde C; Castro ALES; Vaz RG; Ferreira LAJ; Baseia B; Osório APF
    Acta Chim Slov; 2018 sept; 65(3):739-749. PubMed ID: 33562926
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Geometry, dipole moment, polarizability and first hyperpolarizability of polymethineimine: an assessment of electron correlation contributions.
    Jacquemin D; Andre JM; Perpete EA
    J Chem Phys; 2004 Sep; 121(9):4389-96. PubMed ID: 15332990
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability.
    Suponitsky KY; Tafur S; Masunov AE
    J Chem Phys; 2008 Jul; 129(4):044109. PubMed ID: 18681636
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Non-linear optical response of meso hybrid BODIPY: Synthesis, photophysical, DFT and Z scan study.
    Mallah RR; Mohbiya DR; Sreenath MC; Chitrambalam S; Joe IH; Sekar N
    Spectrochim Acta A Mol Biomol Spectrosc; 2019 Feb; 209():126-140. PubMed ID: 30384018
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 9.