메뉴 건너뛰기




Volumn 45, Issue 10, 2007, Pages 865-877

An NMR, IR and theoretical investigation of1H chemical shifts and hydrogen bonding in phenols

Author keywords

1H; CHARGE; Chemical shifts; DFT; GIAO; Hydrogen bonding; IR; NMR; Phenols

Indexed keywords

ACETONE; CHEMICAL SHIFT; DIHEDRAL ANGLE; GEOMETRY; HYDROGEN BONDS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SHIELDING; SOLVENTS;

EID: 34748881144     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.2060     Document Type: Article
Times cited : (70)

References (55)
  • 6
    • 85164040599 scopus 로고    scopus 로고
    • Modgraph Consultants
    • Modgraph Consultants. NMRPredict, 2.14.0, http://www.modgraph.co.uk/, 2004.
    • (2004) NMRPredict, 2.14.0
  • 29
    • 85164042169 scopus 로고    scopus 로고
    • Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA, Stratmann RE, BurantJC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Cliffords, Ochterski J, Petersson GA, Ayala PY, CuiQ, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES, Pople JA. Gaussian 98, Revision A9. Gaussian: Pittsburg, 1998.
    • Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA, Stratmann RE, BurantJC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Cliffords, Ochterski J, Petersson GA, Ayala PY, CuiQ, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES, Pople JA. Gaussian 98, Revision A9. Gaussian: Pittsburg, 1998.
  • 43
    • 0003909854 scopus 로고
    • 2nd edn, John Wiley & Sons: Chichester, UK
    • Günther H. NMR Spectroscopy (2nd edn). John Wiley & Sons: Chichester, UK, 1995.
    • (1995) NMR Spectroscopy
    • Günther, H.1
  • 44
    • 85164040874 scopus 로고    scopus 로고
    • Griffiths VS, Socrates G. J. Mol. Struct. 1966; 21: 3.2.
    • Griffiths VS, Socrates G. J. Mol. Struct. 1966; 21: 3.2.
  • 47
    • 85164042186 scopus 로고    scopus 로고
    • Personal Communication. University of Liverpool: Liverpool
    • Abraham RJ. Personal Communication. University of Liverpool: Liverpool, 2004.
    • (2004)
    • Abraham, R.J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.