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332 related items for PubMed ID: 16834050
1. Vacuum-ultraviolet electronic circular dichroism of L-alanine in aqueous solution investigated by time-dependent density functional theory. Fukuyama T, Matsuo K, Gekko K. J Phys Chem A; 2005 Aug 11; 109(31):6928-33. PubMed ID: 16834050 [Abstract] [Full Text] [Related]
5. Theoretical UV circular dichroism of cyclo(L-Proline-L-Proline). Carlson KL, Lowe SL, Hoffmann MR, Thomasson KA. J Phys Chem A; 2006 Feb 09; 110(5):1925-33. PubMed ID: 16451026 [Abstract] [Full Text] [Related]
6. Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies? Nemykin VN, Hadt RG, Belosludov RV, Mizuseki H, Kawazoe Y. J Phys Chem A; 2007 Dec 20; 111(50):12901-13. PubMed ID: 18004829 [Abstract] [Full Text] [Related]
8. Electronic and vibrational circular dichroism of aromatic amino acids by density functional theory. Tanaka T, Kodama TS, Morita HE, Ohno T. Chirality; 2006 Aug 20; 18(8):652-61. PubMed ID: 16736539 [Abstract] [Full Text] [Related]
9. The conformation of tetraalanine in water determined by polarized Raman, FT-IR, and VCD spectroscopy. Schweitzer-Stenner R, Eker F, Griebenow K, Cao X, Nafie LA. J Am Chem Soc; 2004 Mar 10; 126(9):2768-76. PubMed ID: 14995194 [Abstract] [Full Text] [Related]
10. Vibrational spectra of alpha-amino acids in the zwitterionic state in aqueous solution and the solid state: DFT calculations and the influence of hydrogen bonding. Chowdhry BZ, Dines TJ, Jabeen S, Withnall R. J Phys Chem A; 2008 Oct 16; 112(41):10333-47. PubMed ID: 18816033 [Abstract] [Full Text] [Related]
11. Chirality of camphor derivatives by density functional theory. Morita HE, Kodama TS, Tanaka T. Chirality; 2006 Nov 16; 18(10):783-9. PubMed ID: 16906492 [Abstract] [Full Text] [Related]
12. L-alanine in a droplet of water: a density-functional molecular dynamics study. Degtyarenko IM, Jalkanen KJ, Gurtovenko AA, Nieminen RM. J Phys Chem B; 2007 Apr 26; 111(16):4227-34. PubMed ID: 17407339 [Abstract] [Full Text] [Related]
13. First observation of natural circular dichroism spectra in the extreme ultraviolet region using a polarizing undulator-based optical system and its polarization characteristics. Tanaka M, Yagi-Watanabe K, Kaneko F, Nakagawa K. J Synchrotron Radiat; 2009 Jul 26; 16(Pt 4):455-62. PubMed ID: 19535857 [Abstract] [Full Text] [Related]
14. Dipeptide structure determination by vibrational circular dichroism combined with quantum chemistry calculations. Lee KK, Oh KI, Lee H, Joo C, Han H, Cho M. Chemphyschem; 2007 Oct 22; 8(15):2218-26. PubMed ID: 17876752 [Abstract] [Full Text] [Related]
15. Theoretical modeling of peptide α-helical circular dichroism in aqueous solution. Kaminský J, Kubelka J, Bour P. J Phys Chem A; 2011 Mar 10; 115(9):1734-42. PubMed ID: 21322543 [Abstract] [Full Text] [Related]
17. Amide I bands of terminally blocked alanine in solutions investigated by infrared spectroscopy and density functional theory calculation: hydrogen-bonding interactions and solvent effects. Lee ME, Lee SY, Joo SW, Cho KH. J Phys Chem B; 2009 May 14; 113(19):6894-7. PubMed ID: 19374358 [Abstract] [Full Text] [Related]
18. Vacuum-ultraviolet circular dichroism study of saccharides by synchrotron radiation spectrophotometry. Matsuo K, Gekko K. Carbohydr Res; 2004 Feb 25; 339(3):591-7. PubMed ID: 15013395 [Abstract] [Full Text] [Related]
19. Electronic structures, DNA-binding and spectral properties of Co(III) complexes [Co(bpy)2(L)]3+ (L=pip, odhip, hnoip). Miao TF, Liao SY, Qian L, Zheng KC, Ji LN. Biophys Chem; 2009 Mar 25; 140(1-3):1-8. PubMed ID: 19101067 [Abstract] [Full Text] [Related]