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Volumn 122, Issue 14, 2000, Pages 3560-3561

Predicted NMR coupling constants across hydrogen bonds: A fingerprint for specifying hydrogen bond type? [20]

Author keywords

[No Author keywords available]

Indexed keywords

BINDING AFFINITY; GEOMETRY; HYDROGEN BOND; LETTER; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PREDICTION;

EID: 0034639990     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja994312h     Document Type: Letter
Times cited : (104)

References (28)
  • 8
    • 33646310818 scopus 로고    scopus 로고
    • May 10
    • Chem. Eng. News 1999, May 10, 36-38.
    • (1999) Chem. Eng. News , pp. 36-38
  • 13
    • 33646277344 scopus 로고    scopus 로고
    • note
    • Coupling constants for the H^Oi, H5O2+, HjCV, and several other hydrogen bonded systems including nitrogen and oxygen atoms were presented by R. J. Bartlett at the Internationa] Conference on "Quantum Chemical Calculations of NMR and EPR Parameters", Castle Smolenice, Slovak Republic, Sept 14-18, 1998.
  • 27
    • 33646325867 scopus 로고    scopus 로고
    • ACES II is a program product of the Quantum Theory Project, University of Florida. Authors: Stanton, J. F.; Gauss, J.; Watts, J. D.; Nooijen, M.; Oliphant, N.; Perera. S. A.; Szalay, P. G.; Lauderdale, W. J.; Gwaltney, S. R.; Beck, S.: Balkova, A.; Bernholdt, D. E.; Baeck, K.-K.; Rozyczko, P.; Sekino, H.; Huber, C.; Bartlett, R. J. Integral packages included are VMOL (Almlof, J.; Taylor, P. R.), VPROPS (Taylor, P. R.), and ABACUS (Helgaker, T.; Jensen, H. J. Aa.; Jorgensen, P.; Olsen, J.; Taylor, P. R.).
    • ACES II is a program product of the Quantum Theory Project, University of Florida. Authors: Stanton, J. F.; Gauss, J.; Watts, J. D.; Nooijen, M.; Oliphant, N.; Perera. S. A.; Szalay, P. G.; Lauderdale, W. J.; Gwaltney, S. R.; Beck, S.: Balkova, A.; Bernholdt, D. E.; Baeck, K.-K.; Rozyczko, P.; Sekino, H.; Huber, C.; Bartlett, R. J. Integral packages included are VMOL (Almlof, J.; Taylor, P. R.), VPROPS (Taylor, P. R.), and ABACUS (Helgaker, T.; Jensen, H. J. Aa.; Jorgensen, P.; Olsen, J.; Taylor, P. R.).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.