메뉴 건너뛰기




Volumn 279, Issue 5349, 1998, Pages 356-358

Accurate experimental electronic properties of DL-proline monohydrate obtained within 1 day

Author keywords

[No Author keywords available]

Indexed keywords

PROLINE DERIVATIVE; PROLINE MONOHYDRATE; UNCLASSIFIED DRUG;

EID: 0032535959     PISSN: 00368075     EISSN: None     Source Type: Journal    
DOI: 10.1126/science.279.5349.356     Document Type: Article
Times cited : (111)

References (26)
  • 4
    • 0039477127 scopus 로고
    • B. M. Craven and P. Benci, Acta Crystallogr. Sect. B 37, 1584 (1981); C. Lecomte, M. Souhassou, N. Ghermani, V. Pichon-Pesme, N. Bouhmaida, Trans. Am. Crystallogr. Assoc. V 26, 55 (1990).
    • (1981) Acta Crystallogr. Sect. B , vol.37 , pp. 1584
    • Craven, B.M.1    Benci, P.2
  • 7
    • 0000919267 scopus 로고
    • P. Coppens, Science 158, 1577 (1967); R. F. Stewart, J. Chem. Phys. 51, 4569 (1969).
    • (1967) Science , vol.158 , pp. 1577
    • Coppens, P.1
  • 8
    • 36849097150 scopus 로고
    • P. Coppens, Science 158, 1577 (1967); R. F. Stewart, J. Chem. Phys. 51, 4569 (1969).
    • (1969) J. Chem. Phys. , vol.51 , pp. 4569
    • Stewart, R.F.1
  • 9
  • 10
    • 0000449608 scopus 로고
    • C. Gatti, R. Bianchi, R. Destro, F. Merati, J. Mol. Struct. (Theochem.) 255, 409 (1992); C. Flensburg, S. Larsen, R. F. Stewart, J. Phys. Chem. 99, 10130 (1995); T. Koritsánszky, J. Buschmann, P. Luger, ibid. 100, 10547 (1996).
    • (1995) J. Phys. Chem. , vol.99 , pp. 10130
    • Flensburg, C.1    Larsen, S.2    Stewart, R.F.3
  • 11
    • 33748482372 scopus 로고    scopus 로고
    • C. Gatti, R. Bianchi, R. Destro, F. Merati, J. Mol. Struct. (Theochem.) 255, 409 (1992); C. Flensburg, S. Larsen, R. F. Stewart, J. Phys. Chem. 99, 10130 (1995); T. Koritsánszky, J. Buschmann, P. Luger, ibid. 100, 10547 (1996).
    • (1996) J. Phys. Chem. , vol.100 , pp. 10547
    • Koritsánszky, T.1    Buschmann, J.2    Luger, P.3
  • 12
    • 14444271213 scopus 로고    scopus 로고
    • note
    • The resolution of the diffraction experiment is defined by d = λ/2sin θ, where θ is the scattering angle and λ is the wavelength of the radiation.
  • 15
    • 14444281883 scopus 로고    scopus 로고
    • note
    • DL-Proline, the racemic mixture of the naturally occurring amino acid praline, crystallizes as a monohydrate in an orthorhombic cell. The space group symmetry is Pbca, and the unit cell is defined by the lattice constant vectors of length a = 5.253(3) Å, b = 11.987(5) Å, and c = 19.864(10) Å. (The numbers in parentheses refer to errors in the last digit.)
  • 20
    • 14444275665 scopus 로고    scopus 로고
    • note
    • It is an ab initio molecular orbital calculation at the Hartree-Fock level of approximation based on the use of Gaussian basis functions. The 6-311 + +G(3df,3pd) is a triple-zeta basis set and includes diffuse and high-angular momentum functions. This is the most extended standard basis set available in the Gaussian program system.
  • 25
    • 2642658864 scopus 로고
    • University of Freiburg, Freiburg, Germany
    • E. Keller, SCHAKAL88: User manual (University of Freiburg, Freiburg, Germany, 1988).
    • (1988) SCHAKAL88: User Manual
    • Keller, E.1
  • 26
    • 14444267946 scopus 로고    scopus 로고
    • note
    • Funded by the Bundesminister für Bildung, Wissenschaft, Forschung und Technologie, Bonn, Germany (grant 05 647KEA1), and by the Fonds der Chemischen Industrie, Frankfurt, Germany. We thank B. Dittrich for preparing crystals suitable for the experiment.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.