메뉴 건너뛰기




Volumn 139, Issue 7, 2013, Pages

Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC; HALOGENATED ORGANIC COMPOUNDS; INFRARED SPECTRUM; THEORETICAL SIMULATION;

EID: 84903362726     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4817401     Document Type: Article
Times cited : (75)

References (92)
  • 20
    • 84858082253 scopus 로고    scopus 로고
    • 10.1016/j.chemphys.2011.12.015,Pietropolli Charmet A.
    • N. Tasinato, A. Pietropolli Charmet, P. Stoppa, S. Giorgianni, and A. Gambi, Chem. Phys. 397, 55 (2012). 10.1016/j.chemphys.2011.12.015
    • (2012) Chem. Phys. , vol.397 , pp. 55
    • Tasinato, N.1    Stoppa, P.2    Giorgianni, S.3    Gambi, A.4
  • 33
    • 1642300668 scopus 로고    scopus 로고
    • 10.1063/1.1637580
    • V. Barone, J. Chem. Phys. 120, 3059 (2004). 10.1063/1.1637580
    • (2004) J. Chem. Phys. , vol.120 , pp. 3059
    • Barone, V.1
  • 34
    • 22944477761 scopus 로고    scopus 로고
    • 10.1063/1.1824881
    • V. Barone, J. Chem. Phys. 122, 014108 (2005). 10.1063/1.1824881
    • (2005) J. Chem. Phys. , vol.122 , pp. 014108
    • Barone, V.1
  • 37
    • 0002899294 scopus 로고
    • 10.1103/RevModPhys.23.90
    • H. H. Nielsen, Rev. Mod. Phys. 23, 90 (1951). 10.1103/RevModPhys.23.90
    • (1951) Rev. Mod. Phys. , vol.23 , pp. 90
    • Nielsen, H.H.1
  • 41
    • 31844436100 scopus 로고    scopus 로고
    • 10.1080/00268970500290367
    • J. Vázquez and J. F. Stanton, Mol. Phys. 104, 377 (2006). 10.1080/00268970500290367
    • (2006) Mol. Phys. , vol.104 , pp. 377
    • Vázquez, J.1    Stanton, J.F.2
  • 43
  • 66
    • 33746614482 scopus 로고
    • 10.1063/1.456153
    • J. T. H. Dunning, J. Chem. Phys. 90, 1007 (1989). 10.1063/1.456153
    • (1989) J. Chem. Phys. , vol.90 , pp. 1007
    • Dunning, J.T.H.1
  • 69
    • 31844449666 scopus 로고    scopus 로고
    • 10.1016/S0009-2614(97)00811-7
    • J. Gauss and J. F. Stanton, Chem. Phys. Lett. 276, 70 (1997). 10.1016/S0009-2614(97)00811-7
    • (1997) Chem. Phys. Lett. , vol.276 , pp. 70
    • Gauss, J.1    Stanton, J.F.2
  • 77
    • 0000189651 scopus 로고
    • 10.1063/1.464913
    • A. D. Becke, J. Chem. Phys. 98, 5648 (1993). 10.1063/1.464913
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 78
    • 84903366708 scopus 로고    scopus 로고
    • Double and triple-ζ basis sets of sns and n07 families, are available for download, visit (accessed April 1, 2013).
    • Double and triple-ζ basis sets of sns and n07 families, are available for download, 2012, visit http://dreamslab.sns.it (accessed April 1, 2013).
    • (2012)
  • 80
    • 39749102169 scopus 로고    scopus 로고
    • 10.1016/j.cplett.2008.01.080
    • V. Barone and P. Cimino, Chem. Phys. Lett. 454, 139 (2008). 10.1016/j.cplett.2008.01.080
    • (2008) Chem. Phys. Lett. , vol.454 , pp. 139
    • Barone, V.1    Cimino, P.2
  • 84
    • 31144454180 scopus 로고    scopus 로고
    • 10.1063/1.2148954
    • S. Grimme, J. Chem. Phys. 124, 034108 (2006). 10.1063/1.2148954
    • (2006) J. Chem. Phys. , vol.124 , pp. 034108
    • Grimme, S.1
  • 86
    • 6944251055 scopus 로고
    • 10.1103/PhysRev.46.618
    • C. Møller and M. S. Plesset, Phys. Rev. 46, 618 (1934). 10.1103/PhysRev.46.618
    • (1934) Phys. Rev. , vol.46 , pp. 618
    • Møller, C.1    Plesset, M.S.2
  • 92
    • 84903366709 scopus 로고    scopus 로고
    • 2CHF.
    • 2CHF.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.