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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 87, 1996 - Issue 5
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Original Articles

Integration of atoms in molecules: a critical examination

Pages 1169-1187 | Received 09 Sep 1995, Accepted 14 Nov 1995, Published online: 23 Aug 2006

References

  • Wiberg , K.B. and Rablen , P.R. 1993 . J. comput. Chem. , 14 : 1504 – 1504 .
  • Bader , R.F.W. 1990 . Atoms in Molecules. A Quantum Theory , Oxford : Clarendon Press .
  • Bader , R.F.W. 1994 . Phys. Rev. B , 49 : 13348 – 13348 .
  • Bader , R.F.W. and Popelier , P.L.A. 1993 . Int. J. Quantum Chem. , 45 : 189 – 189 .
  • Angyan , J.G. , Jansen , G. , Loos , M. , Hattig , C. and Hess , B.A. 1994 . Chem. Phys. Lett. , 219 : 267 – 267 .
  • Bader , R.F.W. 1991 . Chem. Rev. , 91 : 893 – 893 .
  • Biegler-König , F.W. , Nguyen-Dang , T.T. , Tal , Y. , Bader , R.F.W. and Duke , A.J. 1981 . J. Phys. B , 14 : 2739 – 2739 .
  • Cioslowski , J. and Stefanov , B.B. 1995 . Molec. Phys. , 84 : 707 – 707 .
  • Cooper , D.L. and Stutchbury , N.C.J. 1985 . Chem. Phys. Lett. , 120 : 167 – 167 .
  • Breneman , C.M. , Rhem , M. , Thompson , T.R. and Dung , M.H. 1994 . Amer. chem. Soc. Symp. Ser. , 569 : 152 – 152 . Breneman, C. M., Thompson, T. R., Rhem, M., and Dung, M. H., 1995, Comput. Chem., 19, 161.
  • Popelier , P.L.A. 1995 . Molecular Similarity in Drug Design , Edited by: Dean , P.M. London : Chapmah & Hall .
  • Marsden , J.E. and Tromba , A.J. 1981 . Vector Calculus , 2nd Edn , San Francisco : Freeman .
  • Varshalovich , D.A. , Moskalev , A.N. and Khersonskii , V.K. 1988 . Quantum Theory of Angular Momentum , Singapore : World Scientific .
  • Cioslowski , J. , Nanayakkara , A. and Challacombe , M. 1993 . Chem. Phys. Lett. , 203 : 137 – 137 .
  • Gill , P.M.W. , Johnson , B.G. and Pople , J.A. 1991 . Int. J. Quantum Chem. , 40 : 745 – 745 .
  • Gradshteyn , I.S. and Ryzhik , I.M. 1965 . Tables of Integrals, Series and Products , New York : Academic Press .
  • Boerrigter , P.M. , Te Velde , G. and Baerends , E.J. 1988 . Int. J. Quantum Chem. , 33 : 87 – 87 .
  • Becke , A.D. 1988 . J. chem. Phys. , 88 : 2547 – 2547 .
  • Popelier , P.L.A. 1994 . Theoret. chim. Acta , 87 : 465 – 465 .
  • Press , W.H. , Flannery , B.P. , Teukolsky , S.A. and Vetterling , W.T. 1992 . Numerical Recipes , 2nd Edn , Cambridge University Press .
  • Baker , J. 1986 . J. comput. Chem. , 7 : 385 – 385 . and references therein
  • Popelier , P.L.A. 1994 . Chem. Phys. Lett. , 228 : 160 – 160 .
  • Popelier , P.L.A. 1993 . Comput. Phys. Commun. , 93 ‘MORPHY’, a program that performs a complete and automatic ‘atoms in molecules analysis’ for MORPHY 1.0 see 1996 in the press
  • Stroud , A.H. 1971 . Approximate Calculations of Multiple Integrals , Englewood Cliffs, NJ : Prentice-Hall .
  • Murray , C.W. , Handy , N.C. and Laming , G.J. 1993 . Molec. Phys. , 78 : 997 – 997 .
  • Pérez-Jordá , J.M. , Becke , A.D. and San-Fabián , E. 1994 . J. chem. Phys. , 100 : 6520 – 6520 .
  • Popelier , P.L.A. unpublished
  • Biegler-Konig , F.W. , Bader , R.F.W. and Tang , T.-H. 1982 . J. comput. Chem. , 3 : 317 – 317 .
  • Price , S.L. , Stone , A.J. and Alderton , M. 1984 . Molec. Phys. , 52 : 987 – 987 . Stone, A. J., 1991, Theoretical Models of Chemical Bonding, Part 4, edited by Z. B. Macsić (Berlin: Springer-Verlag), p. 103.
  • Stone , A.J. 1981 . Chem. Phys. Lett. , 83 : 233 – 233 .
  • Buckingham , A.D. and Fowler , P.W. 1985 . Can. J. Chem. , 63 : 2018 – 2018 .
  • Price , S.L. , Lo , Celso , F. , Treichel , J.A. , Goodfellow , J.M. and Umrania , Y. 1993 . J. chem. Soc. Faraday Trans , 89 : 3407 – 3407 .
  • Stone , A.J. and Price , S.L. 1988 . J. phys. Chem. , 92 : 3325 – 3325 .
  • Stone , A.J. and Alderton , M. 1985 . Molec. Phys. , 56 : 1047 – 1047 .
  • Amos , R.D. , Alberts , I.L. , Andrews , J.S. , Colwell , S.M. , Handy , N.C. , Jayatilaka , D. , Knowles , P.J. , Kobayashi , R. , Koga , N. , Laidig , K.E. , Maslen , P.E. , Murray , C.W. , Rice , J.E. , Sanz , J. , Simandiras , E.D. , Stone , A.J. and Su , M.D. 1992 . CADPAC5: The Cambridge Analytic Derivatives Package Issue 5, a suite of quantum chemistry programs
  • Krishnan , R. , Binkley , J.S. , Seeger , R. and Pople , J.A. 1980 . J. chem. Phys. , 72 : 650 – 650 .
  • Popelier , P.L.A. and Stone , A.J. 1994 . Molec. Phys. , 82 : 411 – 411 .
  • Stone , A.J. , Popelier , P.L.A. and Wales , D.J. 1995 . ORIENT, a program to explore anisotropic potential energy surfaces of clusters of molecules, version 3.1
  • Popelier , P.L.A. , Stone , A.J. and Wales , D.J. 1994 . Faraday Discuss. Chem. Soc. , 97 : 243 – 243 . Wales, D. J., Popelier, P. L. A., and Stone, A. J., 1995, J. chem. Phys., 102, 5551; Wales, D. J., Stone, A. J., and Popelier, P. L. A., 1995, Chem. Phys. Lett., 240, 89.
  • Johnson , B.G. , Gill , P.M.W. and Pople , J.A. 1994 . Chem. Phys. Lett. , 220 : 377 – 377 .

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