BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

227 related articles for article (PubMed ID: 26575929)

  • 21. Anharmonic analysis of the vibrational spectra of some cyanides and related molecules of astrophysical importance.
    Gupta VP; Sharma A
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Nov; 65(3-4):759-69. PubMed ID: 16675296
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Evaluation of MP2, DFT, and DFT-D methods for the prediction of infrared spectra of peptides.
    Bouteiller Y; Poully JC; Desfrançois C; Grégoire G
    J Phys Chem A; 2009 Jun; 113(22):6301-7. PubMed ID: 19435330
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Reassessment of the Thermodynamic, Kinetic, and Spectroscopic Features of Cyanomethanimine Derivatives: A Full Anharmonic Perturbative Treatment.
    Vazart F; Calderini D; Skouteris D; Latouche C; Barone V
    J Chem Theory Comput; 2015 Mar; 11(3):1165-71. PubMed ID: 26579765
    [TBL] [Abstract][Full Text] [Related]  

  • 24. FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-halogenated uracils (5-X-uracils; X=F, Cl, Br, I).
    Singh JS
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 117():502-18. PubMed ID: 24036044
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Perturbation Approach for Computing Infrared Spectra of the Local Mode of Probe Molecules.
    Xue RJ; Grofe A; Yin H; Qu Z; Gao J; Li H
    J Chem Theory Comput; 2017 Jan; 13(1):191-201. PubMed ID: 28068771
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Anharmonic midinfrared vibrational spectra of benzoic acid monomer and dimer.
    Antony J; von Helden G; Meijer G; Schmidt B
    J Chem Phys; 2005 Jul; 123(1):014305. PubMed ID: 16035833
    [TBL] [Abstract][Full Text] [Related]  

  • 27. 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]  

  • 28. Conformational and vibrational studies of isomeric hydrogen cyanide tetramers by quantum chemical methods.
    Gupta VP; Tandon P
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Apr; 89():55-66. PubMed ID: 22245939
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Vibrational analysis of 4-chloro-3-nitrobenzonitrile by quantum chemical calculations.
    Sert Y; Çırak Ç; Ucun F
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr; 107():248-55. PubMed ID: 23434551
    [TBL] [Abstract][Full Text] [Related]  

  • 30. [Infrared, Raman and density functional study of vibration spectra of 2, 3-dichloropyrazine].
    Chen HJ; Guo L; Fang W; Jia GZ
    Guang Pu Xue Yu Guang Pu Fen Xi; 2014 Nov; 34(11):2994-8. PubMed ID: 25752045
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Benchmarking DFT-D Dispersion Corrections for Anharmonic Vibrational Frequencies and Harmonic Scaling Factors.
    Hanson-Heine MWD
    J Phys Chem A; 2019 Nov; 123(45):9800-9808. PubMed ID: 31633366
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Accurate Harmonic/Anharmonic Vibrational Frequencies for Open-Shell Systems: Performances of the B3LYP/N07D Model for Semirigid Free Radicals Benchmarked by CCSD(T) Computations.
    Puzzarini C; Biczysko M; Barone V
    J Chem Theory Comput; 2010 Mar; 6(3):828-38. PubMed ID: 26613310
    [TBL] [Abstract][Full Text] [Related]  

  • 33. General Perturbative Approach for Spectroscopy, Thermodynamics, and Kinetics: Methodological Background and Benchmark Studies.
    Bloino J; Biczysko M; Barone V
    J Chem Theory Comput; 2012 Mar; 8(3):1015-36. PubMed ID: 26593363
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Quantum-mechanical study of energies, structures, and vibrational spectra of the H(D)Cl complexed with dimethyl ether.
    Boda Ł; Boczar M; Gług M; Wójcik MJ
    J Chem Phys; 2015 Nov; 143(20):204302. PubMed ID: 26627954
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Anharmonic vibrational analysis of 3,4-diaminopyridine and 3-aminopyridine by density functional theory calculations.
    Karpagam J; Sundaraganesan N; Kalaichelvan S; Sebastian S
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep; 76(5):502-12. PubMed ID: 20483656
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Scaled quantum chemical studies on the vibrational spectra of 4-bromo benzonitrile.
    Krishnakumar V; Surumbarkuzhali N; Muthunatesan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jan; 71(5):1810-3. PubMed ID: 18715825
    [TBL] [Abstract][Full Text] [Related]  

  • 37. 1H-pyrrolo[3,2-h]quinoline: a benchmark molecule for reliable calculations of vibrational frequencies, IR intensities, and Raman activities.
    Gorski A; Gawinkowski S; Herbich J; Krauss O; Brutschy B; Thummel RP; Waluk J
    J Phys Chem A; 2012 Dec; 116(48):11973-86. PubMed ID: 23134592
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Reliable vibrational wavenumbers for C=O and N-H stretchings of isolated and hydrogen-bonded nucleic acid bases.
    Fornaro T; Biczysko M; Bloino J; Barone V
    Phys Chem Chem Phys; 2016 Mar; 18(12):8479-90. PubMed ID: 26940362
    [TBL] [Abstract][Full Text] [Related]  

  • 39. FT-IR, FT-Raman spectra and other molecular properties of 3,5-dichlorobenzonitrile: a DFT study.
    Alcolea Palafox M; Bena Jothy V; Singhal S; Hubert Joe I; Kumar S; Rastogi VK
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Dec; 116():509-17. PubMed ID: 23978738
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Application of the multi-parameter SQM harmonic force field, and ESFF harmonic frequencies scaling procedures to the determination of the vibrational spectra of silicon- and sulfur(II)-containing compounds.
    Borowski P; Ruiz TP; Barczak M; Pilorz K; Pasieczna-Patkowska S
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():571-85. PubMed ID: 22153593
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 12.