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 *

102 related articles for article (PubMed ID: 19225859)

  • 21. Comparison of frozen-density embedding and discrete reaction field solvent models for molecular properties.
    Jacob CR; Neugebauer J; Jensen L; Visscher L
    Phys Chem Chem Phys; 2006 May; 8(20):2349-59. PubMed ID: 16710483
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Molecular structure, vinyl rotation barrier, and vibrational dynamics of 2,6-dichlorostyrene. A theoretical and experimental research.
    Ceacero-Vega AA; Ruiz TP; Gómez MF; Roldán JM; Navarro A; Fernández-Liencres MP; Jayasooriya UA
    J Phys Chem A; 2007 Jul; 111(28):6406-19. PubMed ID: 17591757
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Analysis of vibrational spectra of L-alanylglycine based on density functional theory calculations.
    Padmaja L; Ravikumar C; James C; Jayakumar VS; Hubert Joe I
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(1):252-62. PubMed ID: 18243781
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Combined theoretical modeling of photoexcitation spectrum of an isolated protonated tyrosine.
    Kwon JS; Choi CM; Kim HJ; Kim NJ; Jang J; Yang M
    J Phys Chem A; 2009 Mar; 113(12):2715-23. PubMed ID: 19245232
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Analysis of vibrational spectra of 1-chloro-2,4-dinitrobenzene based on density functional theory calculations.
    Krishnakumar V; Prabavathi N
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 May; 72(4):738-42. PubMed ID: 19124269
    [TBL] [Abstract][Full Text] [Related]  

  • 26. First-principles quantum calculations on the infrared spectrum and vibrational dynamics of the guanine-cytosine base pair.
    Yagi K; Karasawa H; Hirata S; Hirao K
    Chemphyschem; 2009 Jul; 10(9-10):1442-4. PubMed ID: 19421975
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Structure and conformational properties of N-pentafluorosulfur(sulfuroxide difluoride imide) SF5N=S(O)F2: vibrational analysis, gas electron diffraction, and quantum chemical calculations.
    Alvarez RM; Cutin EH; Mews R; Oberhammer H
    J Phys Chem A; 2007 Mar; 111(11):2243-7. PubMed ID: 17388270
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Vibrational spectra of the trifluoromethylsulfinate anion and scaled quantum mechanical force fields for CF3SO2- and CF3SeO2-.
    Fernández LE; Varetti EL
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Nov; 65(3-4):560-4. PubMed ID: 16533616
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Role of Quantum Vibrations on the Structural, Electronic, and Optical Properties of 9-Methylguanine.
    Law YK; Hassanali AA
    J Phys Chem A; 2015 Nov; 119(44):10816-27. PubMed ID: 26444383
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Reaction path potential for complex systems derived from combined ab initio quantum mechanical and molecular mechanical calculations.
    Lu Z; Yang W
    J Chem Phys; 2004 Jul; 121(1):89-100. PubMed ID: 15260525
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Pseudo-Jahn-Teller origin of the low barrier hydrogen bond in N(2)H(7) (+).
    García-Fernández P; García-Canales L; García-Lastra JM; Junquera J; Moreno M; Aramburu JA
    J Chem Phys; 2008 Sep; 129(12):124313. PubMed ID: 19045029
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Torsional potentials and full-dimensional simulation of electronic absorption and fluorescence spectra of para-phenylene oligomers using the semiempirical self-consistent charge density-functional tight binding approach.
    Lukes V; Solc R; Barbatti M; Elstner M; Lischka H; Kauffmann HF
    J Chem Phys; 2008 Oct; 129(16):164905. PubMed ID: 19045312
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Density functional theory study of the stability and vibrational spectra of the beta-carotene isomers.
    Cerón-Carrasco JP; Bastida A; Zúñiga J; Requena A; Miguel B
    J Phys Chem A; 2009 Sep; 113(36):9899-907. PubMed ID: 19691340
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Synthesis, structure, and spectroscopic properties of chiral oxorhenium(V) complexes incorporating polydentate ligands derived from L-amino acids: a density functional theory/time-dependent density functional theory investigation.
    Basak S; Rajak KK
    Inorg Chem; 2008 Oct; 47(19):8813-22. PubMed ID: 18729447
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Quantum mechanical/molecular mechanical investigation of the mechanism of C-H hydroxylation of camphor by cytochrome P450cam: theory supports a two-state rebound mechanism.
    Schöneboom JC; Cohen S; Lin H; Shaik S; Thiel W
    J Am Chem Soc; 2004 Mar; 126(12):4017-34. PubMed ID: 15038756
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Molecular structure and vibrational assignments of hippuric acid: a detailed density functional theoretical study.
    Karabacak M; Cinar M; Kurt M
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec; 74(5):1197-203. PubMed ID: 19854673
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Structural, electronic, and vibrational properties of C(60-n)Nn (n = 1-12).
    Sharma H; Garg I; Dharamvir K; Jindal VK
    J Phys Chem A; 2009 Aug; 113(31):9002-13. PubMed ID: 19719305
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Molecular structures of phthalocyaninatozinc and hexadecafluorophthalocyaninatozinc studied by gas-phase electron diffraction and quantum chemical calculations.
    Strenalyuk T; Samdal S; Volden HV
    J Phys Chem A; 2007 Nov; 111(47):12011-8. PubMed ID: 17979258
    [TBL] [Abstract][Full Text] [Related]  

  • 39. A sequential molecular mechanics/quantum mechanics study of the electronic spectra of amides.
    Besley NA; Oakley MT; Cowan AJ; Hirst JD
    J Am Chem Soc; 2004 Oct; 126(41):13502-11. PubMed ID: 15479106
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Copper-mediated intra-ligand oxygen transfer in gas-phase complexes with 3-nitrotyrosine.
    Vaisar T; Heinecke JW; Seymour JL; Turecek F
    J Mass Spectrom; 2005 May; 40(5):608-14. PubMed ID: 15724273
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 6.