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Volumn 109, Issue 30, 2005, Pages 6710-6724

Experimental matrix isolation study and quantum-mechanics-based normal-coordinate analysis of the anharmonic infrared spectrum of picolinic acid N-oxide

Author keywords

[No Author keywords available]

Indexed keywords

INFRARED SPECTRUM; MATRIX ISOLATION; PICOLINIC ACID N-OXIDE; POTENTIAL ENERGY DISTRIBUTIONS;

EID: 23844514137     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp058089o     Document Type: Article
Times cited : (55)

References (56)
  • 6
    • 84860981603 scopus 로고    scopus 로고
    • Manuscript in preparation
    • Eckert, J.; Hadži, D. Manuscript in preparation 2004.
    • (2004)
    • Eckert, J.1    Hadži, D.2
  • 33
    • 0345002326 scopus 로고
    • Barnes, A. J., Orville-Thomas, W. J., Muller, A., Gaufres, R., Eds.; NATO ASI Series C, D. Reidel; Dordrecht, The Netherlands
    • Person, W. B. In Matrix Isolation Spectroscopy; Barnes, A. J., Orville-Thomas, W. J., Muller, A., Gaufres, R., Eds.; NATO ASI Series C, D. Reidel; Dordrecht, The Netherlands, 1981; Vol. 76, pp 415-445.
    • (1981) Matrix Isolation Spectroscopy , vol.76 , pp. 415-445
    • Person, W.B.1
  • 37
    • 33645268231 scopus 로고    scopus 로고
    • Galactic Industries Corp.
    • grams/32 V4.0. Galactic Industries Corp.; 1996.
    • (1996) Grams/32 V4.0
  • 40
    • 0343512606 scopus 로고    scopus 로고
    • see Chabrier, P. Ph. D. dissertation, University of Florida
    • Chabrier, P.; Person, W. B. Program XTRAPACK (see Chabrier, P. Ph. D. dissertation, University of Florida, 1998). The evolution of this program from the University of Minnesota program CHARLY was traced in ref 22 given in ref 24.
    • (1998) Program XTRAPACK
    • Chabrier, P.1    Person, W.B.2
  • 45
    • 0344225778 scopus 로고
    • Excellent discussions of PEDs can be found in ref 31b and in numerous articles by Mills, I. (see for example Hedberg, L.; Mills, I. J. Mol. Spectrosc. 1993, 160, 117).
    • (1993) J. Mol. Spectrosc. , vol.160 , pp. 117
    • Hedberg, L.1    Mills, I.2
  • 46
    • 0000911063 scopus 로고
    • The PEDs used in this paper (as they were defined by Keresztury and Jalsovszky), are called TEDs by Pulay, P.; Török, F. Acta Chim. Hung. 1965, 44, 287.
    • (1965) Acta Chim. Hung. , vol.44 , pp. 287
    • Pulay, P.1    Török, F.2
  • 47
    • 36749120122 scopus 로고
    • R is the polar tensor in internal (or symmetry) coordinates (see Person, W. B.; Newton, J. J. Chem. Phys. 1974, 61, 1040)
    • (1974) J. Chem. Phys. , vol.61 , pp. 1040
    • Person, W.B.1    Newton, J.2
  • 48
    • 0000965033 scopus 로고
    • ks. Similar ideas were presented by: Qian, W.; Krimm, S. J. Phys. Chem. 1993, 97, 11578, who introduced an approximate definition of ID that omits the sum over l.
    • (1993) J. Phys. Chem. , vol.97 , pp. 11578
    • Qian, W.1    Krimm, S.2
  • 53
    • 33645263792 scopus 로고    scopus 로고
    • Steiner, T. Unpublished results quoted in refs 11 and 12
    • Steiner, T. Unpublished results quoted in refs 11 and 12.
  • 54
    • 33645264386 scopus 로고    scopus 로고
    • note
    • -1
  • 56
    • 33645261721 scopus 로고    scopus 로고
    • Person, W. B.; Szczepaniak, K. Unpublished results, 2004-2005
    • Person, W. B.; Szczepaniak, K. Unpublished results, 2004-2005.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.