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Journal Abstract Search

493 related items for PubMed ID: 16834003

  • 21.
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  • 22. Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions.
    Danecek P, Kapitán J, Baumruk V, Bednárová L, Kopecký V, Bour P.
    J Chem Phys; 2007 Jun 14; 126(22):224513. PubMed ID: 17581069
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  • 23. Anharmonic vibrational calculations modeling the raman spectra of intermediates in the photoactive yellow protein (PYP) photocycle.
    Adesokan AA, Pan D, Fredj E, Mathies RA, Gerber RB.
    J Am Chem Soc; 2007 Apr 18; 129(15):4584-94. PubMed ID: 17378558
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  • 27. First-principles calculations on anharmonic vibrational frequencies of polyethylene and polyacetylene in the Gamma approximation.
    Keçeli M, Hirata S, Yagi K.
    J Chem Phys; 2010 Jul 21; 133(3):034110. PubMed ID: 20649311
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  • 28. Approximate first-principles anharmonic calculations of polyatomic spectra using MP2 and B3LYP potentials: comparisons with experiment.
    Roy TK, Carrington T, Gerber RB.
    J Phys Chem A; 2014 Aug 21; 118(33):6730-9. PubMed ID: 24977304
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  • 30. Intramolecular vibrational frequencies of water clusters (H2O)n (n=2-5): Anharmonic analyses using potential functions based on the scaled hypersphere search method.
    Watanabe Y, Maeda S, Ohno K.
    J Chem Phys; 2008 Aug 21; 129(7):074315. PubMed ID: 19044775
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  • 31. A theoretical anharmonic study of the infrared absorption spectra of FHF-, FDF-, OHF-, and ODF- anions.
    Elghobashi N, González L.
    J Chem Phys; 2006 May 07; 124(17):174308. PubMed ID: 16689572
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  • 34. Anharmonic calculation of the structure, vibrational frequencies and intensities of the NH3···trans-HONO complex.
    Bulychev VP, Buturlimova MV, Tokhadze KG.
    J Phys Chem A; 2013 Sep 19; 117(37):9093-8. PubMed ID: 23944642
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  • 36. Vibrational spectrum of katoite Ca3Al2[(OH)4]3: a periodic ab initio study.
    Orlando R, Torres FJ, Pascale F, Ugliengo P, Zicovich-Wilson C, Dovesi R.
    J Phys Chem B; 2006 Jan 19; 110(2):692-701. PubMed ID: 16471590
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  • 38. Hybrid MP2/MP4 potential surfaces in VSCF calculations of IR spectra: applications for organic molecules.
    Knaanie R, Šebek J, Kalinowski J, Benny Gerber R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Feb 05; 119():2-11. PubMed ID: 23838574
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  • 39. Anharmonic rovibrational analysis for disilacyclopropenylidene (Si2CH2).
    Lu T, Wilke JJ, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2011 Apr 28; 134(16):164101. PubMed ID: 21528944
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