BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

189 related articles for article (PubMed ID: 31246313)

  • 1. DFT calculations on molecular structures, HOMO-LUMO study, reactivity descriptors and spectral analyses of newly synthesized diorganotin(IV) 2-chloridophenylacetohydroxamate complexes.
    Choudhary V; Bhatt A; Dash D; Sharma N
    J Comput Chem; 2019 Oct; 40(27):2354-2363. PubMed ID: 31246313
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Density functional theory studies on molecular geometry, spectroscopy, HOMO-LUMO and reactivity descriptors of titanium(IV) and oxidozirconium(IV) complexes of phenylacetohydroxamic acid.
    Choudhary VK; Mandhan K; Dash D; Bhardwaj S; Kumari M; Sharma N
    J Comput Chem; 2022 Dec; 43(31):2060-2071. PubMed ID: 36165982
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Synthesis, Characterization, Catalytic Activity, and DFT Calculations of Zn(II) Hydrazone Complexes.
    Adejumo TT; Tzouras NV; Zorba LP; Radanović D; Pevec A; Grubišić S; Mitić D; Anđelković KK; Vougioukalakis GC; Čobeljić B; Turel I
    Molecules; 2020 Sep; 25(18):. PubMed ID: 32899683
    [TBL] [Abstract][Full Text] [Related]  

  • 4. DFT and TDDFT exploration on electronic transitions and bonding aspect of DPA and PTDC ligated transition metal complexes.
    Ahmed M; Malhotra SS; Yadav O; Monika ; Saini C; Sharma N; Gupta MK; Mohapatra RK; Ansari A
    J Mol Model; 2024 Apr; 30(5):122. PubMed ID: 38570356
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A structure-based analysis of the vibrational spectra of nitrosyl ligands in transition-metal coordination complexes and clusters.
    De La Cruz C; Sheppard N
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan; 78(1):7-28. PubMed ID: 21123107
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Nitrofurantoin-melamine monohydrate (cocrystal hydrate): Probing the role of H-bonding on the structure and properties using quantum chemical calculations and vibrational spectroscopy.
    Khan E; Shukla A; Jhariya AN; Tandon P; Vangala VR
    Spectrochim Acta A Mol Biomol Spectrosc; 2019 Oct; 221():117170. PubMed ID: 31158769
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Synthesis, spectral and luminescence study, crystal structure determination and DFT calculation of binuclear palladium(II) complexes.
    Seyfi S; Alizadeh R; Darvish Ganji M; Amani V
    Spectrochim Acta A Mol Biomol Spectrosc; 2018 Feb; 190():298-311. PubMed ID: 28941414
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Synthesis, spectral and theoretical studies of Ni(II), Pd(II) and Pt(II) complexes of 5-mercapto-1,2,4-triazole-3-imine-2'-hydroxynaphthaline.
    Gaber M; El-Ghamry H; Atlam F; Fathalla S
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 137():919-29. PubMed ID: 25282021
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Linear M[triple bond]E-Me versus bent M-E-Me: bonding analysis in heavier metal-ylidyne complexes [(Cp)(CO)2M[triple bond]EMe] and metallo-ylidenes [(Cp)(CO)3M-EMe] (M = Cr, Mo, W; E = Si, Ge, Sn, Pb).
    Pandey KK; Lledós A
    Inorg Chem; 2009 Apr; 48(7):2748-59. PubMed ID: 19256519
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Synthesis, spectral, computational and thermal analysis studies of metallocefotaxime antibiotics.
    Masoud MS; Ali AE; Elasala GS
    Spectrochim Acta A Mol Biomol Spectrosc; 2015; 149():363-77. PubMed ID: 25974669
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Molecular orbital studies (hardness, chemical potential and electrophilicity), vibrational investigation and theoretical NBO analysis of 4-4'-(1H-1,2,4-triazol-1-yl methylene) dibenzonitrile based on abinitio and DFT methods.
    Sheela NR; Muthu S; Sampathkrishnan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2014; 120():237-51. PubMed ID: 24184626
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Synthesis, crystal structures HOMO-LUMO analysis and DFT calculation of new complexes of p-substituted dibenzyltin chlorides and 1,10-phenanthroline.
    Chandrasekar S; Balachandran V; Evans HS; Latha A
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 May; 143():136-46. PubMed ID: 25725209
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Quantum mechanical, spectroscopic and docking studies of 2-Amino-3-bromo-5-nitropyridine by Density Functional Method.
    Abraham CS; Prasana JC; Muthu S
    Spectrochim Acta A Mol Biomol Spectrosc; 2017 Jun; 181():153-163. PubMed ID: 28359904
    [TBL] [Abstract][Full Text] [Related]  

  • 14. One-step preparation, structural assignment, and X-ray study of 2,2-di-n-butyl- and 2,2-diphenyl-6-aza-1,3-dioxa-2-stannabenzocyclononen-4-ones derived from amino acids.
    Beltrán HI; Zamudio-Rivera LS; Mancilla T; Santillan R; Farfán N
    Chemistry; 2003 May; 9(10):2291-306. PubMed ID: 12772304
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Molecular structure, vibrational, electronic and thermal properties of 4-vinylcyclohexene by quantum chemical calculations.
    Nagabalasubramanian PB; Periandy S; Karabacak M; Govindarajan M
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jun; 145():340-352. PubMed ID: 25795608
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Theoretical study on the radical scavenging activity of gallic acid.
    Molski M
    Heliyon; 2023 Jan; 9(1):e12806. PubMed ID: 36691549
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Spectroscopic investigation, natural bond orbital analysis, HOMO-LUMO and thermodynamic functions of 2-tert-butyl-5-methyl anisole using DFT (B3LYP) calculations.
    Balachandran V; Santhi G; Karpagam V; Revathi B; Karabacak M
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():451-63. PubMed ID: 25448946
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Synthesis, structure, spectral properties and DFT quantum chemical calculations of 4-aminoazobenzene dyes. Effect of intramolecular hydrogen bonding on photoisomerization.
    Georgiev A; Bubev E; Dimov D; Yancheva D; Zhivkov I; Krajčovič J; Vala M; Weiter M; Machkova M
    Spectrochim Acta A Mol Biomol Spectrosc; 2017 Mar; 175():76-91. PubMed ID: 28024251
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Spectroscopic and theoretical investigations of vibrational frequencies in binary unsaturated transition-metal carbonyl cations, neutrals, and anions.
    Zhou M; Andrews L; Bauschlicher CW
    Chem Rev; 2001 Jul; 101(7):1931-61. PubMed ID: 11710236
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Experimental (X-ray, FT-IR and UV-vis spectra) and theoretical methods (DFT study) of (E)-3-methoxy-2-[(p-tolylimino)methyl]phenol.
    Demircioğlu Z; Albayrak Ç; Büyükgüngör O
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jul; 128():748-58. PubMed ID: 24699294
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.