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0003928002
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ed. A. R. Katridzky and R. J. K. Taylor, vol. 5, 1023
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P. J. Rutledge, in Comprehensive Organic Functional Group Transformations II, ed., A. R. Katridzky, and, R. J. K. Taylor, vol. 5, 2005, 1023
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Comprehensive Organic Functional Group Transformations II
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Rutledge In, P.J.1
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0003928002
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ed. A. R. Katridzky and R. J. K. Taylor, vol. 5, 975
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R. A. Aitken, in Comprehensive Organic Functional Group Transformations II, ed., A. R. Katridzky, and, R. J. K. Taylor, vol. 5, 2005, 975
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Comprehensive Organic Functional Group Transformations II
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Aitken In, R.A.1
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16
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70350079583
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The package also contains modified versions of the MOLECULE Gaussian integral program of J. Almlöf P.R. Taylor the ABACUS integral derivative program written by T.U. Helgaker H.J. Aa. Jensen P. Jørgensen
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P.R. Taylor Springer the PROPS property evaluation integral code of P.R. Taylor R.J.
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J. F. Stanton, J. Gauss, W. J. Lauderdale, J. D. Watts and R. J. Bartlett, ACES II. 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, Springer and the PROPS property evaluation integral code of P. R. Taylor
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E Bartlett ACES II
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Stanton, J.F.1
Gauss, J.2
Lauderdale, W.J.3
Watts, J.D.4
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18
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15744375697
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Gaussian Inc., Wallingford, CT
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M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez and J. A. Pople, GAUSSIAN 03 ∥Revision C.02), Gaussian Inc., Wallingford, CT, 2004
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(2004)
GAUSSIAN 03 ∥revision C.02
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery, Jr.J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Adamo, C.36
Jaramillo, J.37
Gomperts, R.38
Stratmann, R.E.39
Yazyev, O.40
Austin, A.J.41
Cammi, R.42
Pomelli, C.43
Ochterski, J.W.44
Ayala, P.Y.45
Morokuma, K.46
Voth, G.A.47
Salvador, P.48
Dannenberg, J.J.49
Zakrzewski, V.G.50
Dapprich, S.51
Daniels, A.D.52
Strain, M.C.53
Farkas, O.54
Malick, D.K.55
Rabuck, A.D.56
Raghavachari, K.57
Foresman, J.B.58
Ortiz, J.V.59
Cui, Q.60
Baboul, A.G.61
Clifford, S.62
Cioslowski, J.63
Stefanov, B.B.64
Liu, G.65
Liashenko, A.66
Piskorz, P.67
Komaromi, I.68
Martin, R.L.69
Fox, D.J.70
Keith, T.71
Al-Laham, M.A.72
Peng, C.Y.73
Nanayakkara, A.74
Challacombe, M.75
Gill, P.M.W.76
Johnson, B.77
Chen, W.78
Wong, M.W.79
Gonzalez, C.80
Pople, J.A.81
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- resonance structures would explain the bent frame and, the latter, the 1,3-dipolar formulation. The non-octet structure F-CNS would explain the short CN and NS bonds. In the paper, the most widely accepted resonance structure, F-CN→S, is used
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I. Mayer and A. Hamza, Program "APOST", Version 1.05, Chemical Research Center, Hungarian Academy of Sciences, Budapest, January 2003
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Hamza Program Apost
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Mayer, I.1
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