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Volumn 110, Issue 14, 2006, Pages 4854-4865

Spectroscopy of the cyano radical in an aqueous environment

Author keywords

[No Author keywords available]

Indexed keywords

CYANO RADICALS; EXCITATION ENERGIES; MOLECULAR MECHANICS; SOLUTE-SOLVENT INTERACTIONS;

EID: 33646228159     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0545952     Document Type: Article
Times cited : (21)

References (67)
  • 39
    • 0004040381 scopus 로고
    • Stanton, J. F.; Gauss, J.; Watts, J. D.; Lauderdale, W. J.; Bartlett, R. J. ACES II 1993. The package also contains modified versions of the MOLECULE Gaussian integral program of J. Almlöf and P. R. Taylor, the ABACUS integral derivative program written by T. U. Helgaker, H. J. Aa. Jensen, P. Jørgensen and P. R. Taylor, and the PROPS property evaluation integral code of P. R. Taylor.
    • (1993) ACES II
    • Stanton, J.F.1    Gauss, J.2    Watts, J.D.3    Lauderdale, W.J.4    Bartlett, R.J.5
  • 50
    • 33646255334 scopus 로고    scopus 로고
    • note
    • This approach is not strictly correct as the ROHF reference is not formally size-consistent. However, the introduced error is numerically negligible.
  • 57
    • 33646263723 scopus 로고    scopus 로고
    • NBO 4.0. Glendening, E. D.; Badenhoop, J. K.; Reed, A. E.; Carpenter, J. E.; Weinhold, F. Theoretical Chemistry Institute, University of Wisconsin, Madison, WI, 1996
    • NBO 4.0. Glendening, E. D.; Badenhoop, J. K.; Reed, A. E.; Carpenter, J. E.; Weinhold, F. Theoretical Chemistry Institute, University of Wisconsin, Madison, WI, 1996.
  • 67
    • 33646231138 scopus 로고    scopus 로고
    • note
    • -1.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.