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6
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0003438540
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Cornell University Press, Ithaca, NY, 3rd edn, p. 449
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L. Pauling, The Nature of the Chemical Bond, Cornell University Press, Ithaca, NY, 3rd edn, 1960, p. 449
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(1960)
The Nature of the Chemical Bond
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Pauling, L.1
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36
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15744375697
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Gaussian, Inc., Wallingford, CT, The calculations were done with PROAIM. See:
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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, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. 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. G. 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
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.G.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
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38
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0003990718
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R. D. Amos, with collaborations Cambridge
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CADPAC: The Cambridge Analytic Derivatives Package, Issue 6, R. D. Amos, with collaborations from I. L. Alberts, J. S. Andrews, S. M. Colwell, N. C. Handy, D. Jayatilaka, P. J. Knowles, R. Kobayashi, K. E. Laidig, G. Laming, A. M. Lee, P. E. Maslen, C. W. Murray, J. E. Rice, E. D. Simandiras, A. J. Stone, M.-D. Su D. J. Tozer, Cambridge, 1995
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(1995)
CADPAC: The Cambridge Analytic Derivatives Package, Issue 6
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Alberts, I.L.1
Andrews, J.S.2
Colwell, S.M.3
Handy, N.C.4
Jayatilaka, D.5
Knowles, P.J.6
Kobayashi, R.7
Laidig, K.E.8
Laming, G.9
Lee, A.M.10
Maslen, P.E.11
Murray, C.W.12
Rice, J.E.13
Simandiras, E.D.14
Stone, A.J.15
Su, M.-D.16
Tozer, D.J.17
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39
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0003438540
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Cornell University Press, Ithaca, NY, 3rd edn, pp. 622: "In Chapter 3 and other chapters of this book much use if made of bond-energy values. These values are chosen in such a way that their sum over all of the bonds of a molecule which can be satisfactorily represented by a single valence-bond structure is equal to the enthalpy of formation of the molecule from its constituent atoms in their normal states."
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L. Pauling, The Nature of the Chemical Bond, (Cornell University Press, Ithaca, NY, 3rd edn, 1960) pp. 622: "In Chapter 3 and other chapters of this book much use if made of bond-energy values. These values are chosen in such a way that their sum over all of the bonds of a molecule which can be satisfactorily represented by a single valence-bond structure is equal to the enthalpy of formation of the molecule from its constituent atoms in their normal states."
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(1960)
The Nature of the Chemical Bond
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Pauling, L.1
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41
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0004166732
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H. B. Bürgi, J. D. Dunitz, vol. 1 and 2, VCH, Weinheim, The cone correction (analyze the angle probability as a functions of sin() rather than ) is needed in statistical analysis of crystal packing to get a collinear trend. It introduces in the analysis the fact that as the angle moves away from 180° the number of possible volume units increases as sin(). See:
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Structure correlation, ed., H. B. Bürgi,,, J. D. Dunitz,, vol. 1 and 2, VCH, Weinheim, 1994
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(1994)
Structure Correlation, Ed.
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46
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0003438540
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Cornell University Press, Ithaca, NY, 3rd edn, p. 6
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L Pauling. The Nature of the Chemical Bond, Cornell University Press, Ithaca, NY, 3rd edn, 1960. p. 6
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(1960)
The Nature of the Chemical Bond
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Pauling., L.1
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57
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41649109196
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-2 atomic units
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-2 atomic units
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