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M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, N. Rega, P. Salvador, J. J. Dannenberg, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, 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, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle and J. A. Pople, GAUSSIAN 98 (Revision A.11.3), Gaussian Inc., Pittsburgh, PA, 2002
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Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery Jr., J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Rega, N.30
Salvador, P.31
Dannenberg, J.J.32
Malick, D.K.33
Rabuck, A.D.34
Raghavachari, K.35
Foresman, J.B.36
Cioslowski, J.37
Ortiz, J.V.38
Baboul, A.G.39
Stefanov, B.B.40
Liu, G.41
Liashenko, A.42
Piskorz, P.43
Komaromi, I.44
Gomperts, R.45
Martin, R.L.46
Fox, D.J.47
Keith, T.48
Al-Laham, M.A.49
Peng, C.Y.50
Nanayakkara, A.51
Challacombe, M.52
Gill, P.M.W.53
Johnson, B.54
Chen, W.55
Wong, M.W.56
Andres, J.L.57
Gonzalez, C.58
Head-Gordon, M.59
Replogle, E.S.60
Pople, J.A.61
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33750990826
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The correlation of dipole moment and hydrogen bond radii shown in ref. 26 and 27 have the dipole moment of HCCH incorrectly given as 0 or 0.2 D. The CH bond dipole needs to be considered and the correlation shown in Fig. 2/4 here should be preferred over the results shown in ref. 26 or 27
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The correlation of dipole moment and hydrogen bond radii shown in ref. 26 and 27 have the dipole moment of HCCH incorrectly given as 0 or 0.2 D. The CH bond dipole needs to be considered and the correlation shown in Fig. 2/4 here should be preferred over the results shown in ref. 26 or 27
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62
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33751001083
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Z. Rahim B. N. Barman Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Cryst. 1978 34 761
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Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Cryst.
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Barman, B.N.2
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0000016277
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Available at the website:
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I. J. Bruno J. C. Cole P. R. Edgington M. K. Kessler C. F. Macrae P. McCabe J. Pearson R. Taylor Acta Crystallogr., Sect. B: Struct. Sci. 2002 B58 389
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Acta Crystallogr., Sect. B: Struct. Sci.
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Bruno, I.J.1
Cole, J.C.2
Edgington, P.R.3
Kessler, M.K.4
MacRae, C.F.5
McCabe, P.6
Pearson, J.7
Taylor, R.8
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66
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33750970912
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According to Pauling, "there is a chemical bond between two atoms or groups of atoms in case that the forces acting between them are such as to lead to the formation of an aggregate with sufficient stability to make it convenient for the chemist to consider it as an independent molecular species", ref. 1, page 6
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According to Pauling, "there is a chemical bond between two atoms or groups of atoms in case that the forces acting between them are such as to lead to the formation of an aggregate with sufficient stability to make it convenient for the chemist to consider it as an independent molecular species", ref. 1, page 6
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