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Volumn 110, Issue 46, 2006, Pages 23204-23210

Bulk chemical shifts in hydrogen-bonded systems from first-principles calculations and solid-state-NMR

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY CONDITIONS; CRYSTALLIZATION; ELECTRONIC STRUCTURE; HYDROGEN BONDS; NATURAL FREQUENCIES; NUCLEAR MAGNETIC RESONANCE; SOLVENTS; SUPRAMOLECULAR CHEMISTRY;

EID: 33846105949     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0640732     Document Type: Article
Times cited : (94)

References (60)
  • 13
    • 3042640517 scopus 로고    scopus 로고
    • Kaupp, M, Bühl, M, Malkin, M, Vladimir, G, Eds, Wiley-VCH: Weinheim
    • Kaupp, M., Bühl, M., Malkin, M., Vladimir, G., Eds. Calculations of NMR and EPR Parameters; Wiley-VCH: Weinheim, 2004.
    • (2004) Calculations of NMR and EPR Parameters
  • 46
    • 84906413667 scopus 로고    scopus 로고
    • Hutter, J. et al. Computer code CPMD, version 3.12; 1990-2005. Copyright IBM Corp, and MPI-FKF Stuttgart
    • Hutter, J. et al. Computer code CPMD, version 3.12; 1990-2005. Copyright IBM Corp, and MPI-FKF Stuttgart, http://www.cpmd.org.
  • 58
    • 0003516749 scopus 로고
    • 3rd ed, Oxford University Press: New York
    • Atkins, P. W. Physical Chemistry, 3rd ed.; Oxford University Press: New York, 1986.
    • (1986) Physical Chemistry
    • Atkins, P.W.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.