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Volumn 2, Issue 1, 1996, Pages 9-18

What do ab initio calculations predict for the structure of lithiated azaenolates of peptides?

Author keywords

Ab initio calculations; Azaenolates; NMR chemical shifts; Peptides; Ramachandran maps

Indexed keywords

AB INITIO CALCULATIONS; AZAENOLATES; CARBON AND NITROGEN; CHEMICAL SHIELDING; FOUR-MEMBERED RINGS; GAUGE-INCLUDING ATOMIC ORBITALS; NMR CHEMICAL SHIFTS; OXYGEN AND NITROGENS;

EID: 0010447701     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.19960020106     Document Type: Article
Times cited : (7)

References (70)
  • 8
    • 0001797240 scopus 로고
    • For a comprehensive review, see: (Eds.: B. Ernst, C. Leumann), VHCH/VCH, Basel/Weinheim
    • For a comprehensive review, see: D. Seebach, A. K. Beck, A. Studer, in Modern Synthetic Methods, Vol. 7 (Eds.: B. Ernst, C. Leumann), VHCH/VCH, Basel/Weinheim 1995, p. 1-178.
    • (1995) Modern Synthetic Methods , vol.7 , pp. 1-178
    • Seebach, D.1    Beck, A.K.2    Studer, A.3
  • 14
    • 84942696736 scopus 로고
    • For structural related compounds see for example
    • For structural related compounds see for example: a) P. v. R. Schleyer, Pure Appl. Chem. 1983, 355-362.
    • (1983) Pure Appl. Chem. , pp. 355-362
    • Schleyer, P.V.R.1
  • 20
    • 84891449967 scopus 로고    scopus 로고
    • note
    • -1.
  • 21
    • 84891447228 scopus 로고    scopus 로고
    • note
    • 1-symmetric structure with a slightly nonplanar amide function is the minimum at correlated levels [11a,11b,12].
  • 30
    • 0028005530 scopus 로고
    • 2 groups, see, for example: and references therein
    • 2 groups, see, for example: J. Sponer, P. Hobza, J. Am. Chem. Soc. 1994, 116, 709-714, and references therein.
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 709-714
    • Sponer, J.1    Hobza, P.2
  • 35
    • 36549095692 scopus 로고
    • Intrinsic reaction coordinates were calculated on this rotational pathway, see
    • Intrinsic reaction coordinates were calculated on this rotational pathway, see: C. Gonzales, H. B. Schlegel, J. Chem. Phys. 1989, 90, 2154-2161;
    • (1989) J. Chem. Phys. , vol.90 , pp. 2154-2161
    • Gonzales, C.1    Schlegel, H.B.2
  • 36
    • 33750614386 scopus 로고
    • J. Phys. Chem. 1990, 94, 5523-5527.
    • (1990) J. Phys. Chem. , vol.94 , pp. 5523-5527
  • 37
    • 84891458389 scopus 로고    scopus 로고
    • note
    • -1, HF/6-31 + G(d)).
  • 46
    • 33746967868 scopus 로고
    • For leading references to the structures of organolithium systems, see
    • a) For leading references to the structures of organolithium systems, see: W. N. Setzer, P. v. R. Schleyer, Adv. Organomet. Chem. 1985, 24, 353-451.
    • (1985) Adv. Organomet. Chem. , vol.24 , pp. 353-451
    • Setzer, W.N.1    Schleyer, P.V.R.2
  • 51
    • 0001484107 scopus 로고
    • The Role of Hydrogen Bonding in Molecular Assemblies
    • Eds.: H.-B. Bürgi, J. D. Dunitz, VCH: New York
    • d) J. Bernstein, C. Etter, L. Leiserowitz, The Role of Hydrogen Bonding in Molecular Assemblies, Structure Correlation, Vol. 2 (Eds.: H.-B. Bürgi, J. D. Dunitz), VCH: New York, 1994.
    • (1994) Structure Correlation , vol.2
    • Bernstein, J.1    Etter, C.2    Leiserowitz, L.3
  • 54
    • 0010051764 scopus 로고
    • Computational Aspects for Large Chemical Systems
    • Springer, New York
    • E. Clementi, Computational Aspects for Large Chemical Systems, Lecture Notes in Chemistry, Vol. 19.; Springer, New York, 1980.
    • (1980) Lecture Notes in Chemistry , vol.19
    • Clementi, E.1
  • 58
    • 84891436420 scopus 로고
    • version 2. 3. San Diego: Biosym Techn.
    • c) Turbomol, version 2. 3. San Diego: Biosym Techn. 1993.
    • (1993) Turbomol
  • 61
    • 84891409679 scopus 로고    scopus 로고
    • See for example the replacement of diastereotopic sarcosine protons in the hexalithio derivative of cyclosporine A; discussed on pp. 130-138 in ref. [3]
    • See for example the replacement of diastereotopic sarcosine protons in the hexalithio derivative of cyclosporine A; discussed on pp. 130-138 in ref. [3].
  • 70
    • 84891413396 scopus 로고    scopus 로고
    • QCPE Program No. 455, Indiana University, Bloomington, Indiana
    • MOPAC 5.0/6.0; J. J. P. Stewart, QCPE Program No. 455, Indiana University, Bloomington, Indiana.
    • MOPAC 5.0/6.0
    • Stewart, J.J.P.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.