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Volumn 114, Issue 7, 2010, Pages 2506-2517

Infrared spectra and photochemistry of matrix-isolated pyrrole-2- carbaldehyde

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; DIFFERENT GEOMETRY; DIHEDRAL ANGLES; FT-IR SPECTRUM; FTIR SPECTROSCOPY; INFRARED SPECTRUM; LOW TEMPERATURES; MATRIX; NATURAL BOND ORBITAL METHOD; PHOTOPRODUCTS; RELATIVE STABILITIES; THEORETICAL CALCULATIONS; UV IRRADIATION; VIBRATIONAL SIGNATURE; XENON MATRICES;

EID: 77249149336     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp911118v     Document Type: Article
Times cited : (45)

References (41)
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    • 77954945139 scopus 로고
    • Vibrational analysis of polyatomic molecules. VI. FORTRAN IV Programs for solving the vibrational secular equation and for the least-squares refinement of force constants
    • Project No. 31450, Shell Development Co.
    • Schachtschneider, J. H.; Mortimer, F. S. Vibrational Analysis of Polyatomic Molecules. VI. FORTRAN IV Programs for Solving the Vibrational Secular Equation and for the Least-Squares Refinement of Force Constants; Project No. 31450, Structural Interpretation of Spectra; Shell Development Co.: 1969.
    • (1969) Structural Interpretation of Spectra
    • Schachtschneider, J.H.1    Mortimer, F.S.2
  • 22
    • 77249144203 scopus 로고    scopus 로고
    • The NBO and APT charges shown in Table 1 generally show the same trends, though their absolute values might in the same cases differ considerably. It is known, for example, that C-H bond dipoles are overestimated by the NBO method, see ref .
    • The NBO and APT charges shown in Table 1 generally show the same trends, though their absolute values might in the same cases differ considerably. It is known, for example, that C-H bond dipoles are overestimated by the NBO method, see ref .
  • 33
    • 84875379930 scopus 로고
    • version 7.3.0.267 (R2006b); Inc.: Natick, MA
    • MATLAB, version 7.3.0.267 (R2006b); The MathWorks, Inc.: Natick, MA, 1994-2006; see www.mathwor.ks.com/patents.
    • (1994) MATLAB
  • 36
    • 0141732449 scopus 로고    scopus 로고
    • and references therein.
    • Abe, H.; Yamada, K. M. T. Struct. Chem. 2003, 14, 211, and references therein.
    • (2003) Struct. Chem. , vol.14 , pp. 211
    • Abe, H.1    Yamada, K.M.T.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.