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Molecular interactions in a homogeneous electric field: the (HF)2 complex

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Summary

The interaction energy of two HF molecules, subjected to a static external field, is analyzed. The analysis aims at the elaboration of simple expressions able to reproduce environmental and substitution effects on noncovalent molecular interactions.

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References

  1. Ghio C, Scrocco E, Tomasi J (1980) Theoret Chim Acta 56:61

    Article  Google Scholar 

  2. Bonaccorsi R, Ghio C, Tomasi J (1984) Int J Quantum Chem 26:637

    Google Scholar 

  3. Alagona G, Ghio C, Igual J, Tomasi J (1990) J Mol Struct (Theochem) 204:253

    Google Scholar 

  4. Cammi R, Olivares del Valle FJ, Tomasi J (1988) Chem Phys 122:63

    Google Scholar 

  5. Gready JE, Backsay GB, Hush NS (1978) Chem Phys 23:9

    Google Scholar 

  6. Gready JE, Backsay GB, Hush NS (1978) Chem Phys 31:467

    Google Scholar 

  7. Pancíř J, Zahradník J (1978) Helv Chim Acta 61:59

    Google Scholar 

  8. Nakatsuji H, Hayakawa T, Yonezawa T (1981) J Am Chem Soc 103:7426

    Google Scholar 

  9. Nagy LT, Tvaroska I, Tunega D (1986) Coll Czech Chem Comm 51:1803

    Google Scholar 

  10. Raynaud M, Reynaud C, Ellinger Y, Hennico G, Delhalle J (1990) Chem Phys 142:191

    Google Scholar 

  11. Fujimoto H, Hoffman R (1974) J Phys Chem 78:1875

    Google Scholar 

  12. Bigelow RW (1979) J Chem Phys 70:3139

    Google Scholar 

  13. Krijn MPCM, Feil D (1987) J Phys Chem 91:540

    Google Scholar 

  14. Bader RFW (1989) J Chem Phys 91:6989

    Google Scholar 

  15. Bauschlicher CW (1985) Chem Phys Lett 118:307

    Google Scholar 

  16. Olivares del Valle FJ, Tomasi J (1987) Chem Phys 114:231

    Google Scholar 

  17. Malik DJ (1988) J Chem Phys 88:2224

    Google Scholar 

  18. Duran M, Andrés JL, Lledós A, Bertrán J (1989) J Chem Phys 90:328

    Google Scholar 

  19. Augspurger JD, Dykstra CE, Olfield E (1991) J Am Chem Soc 113:2447

    Google Scholar 

  20. Clark DT, Cromarty BJ, Sgamellotti A (1977) Chem Phys 26:179

    Google Scholar 

  21. Buckingham AD (1982) J Phys Chem 86:1175

    Google Scholar 

  22. Bishop MD, Lam B, Epstein ST (1988) J Chem Phys 88:337

    Google Scholar 

  23. Grigolini P (1977) Chem Phys 38:386

    Google Scholar 

  24. Noell JO, Morokuma K (1976) J Chem Phys 80:2675

    Google Scholar 

  25. Robe BM (1980) Theoret Chim Acta 56:245

    Google Scholar 

  26. Cauchy D, Lavery R, Pullman B (1980) Theoret Chim Acta 57:323

    Google Scholar 

  27. Fritsch J, Zundel G (1981) J Phys Chem 87:573

    Google Scholar 

  28. Hobza P, Hofmann H-J, Zahradník R (1983) J Phys Chem 87:573

    Google Scholar 

  29. Hobza P, Zahradník, Ladik J (1984) Int J Quantum Chem 26:827

    Google Scholar 

  30. Keller J, Hodošček M, Hadži D (1984) J Mol Struct (Theochem) 106:301

    Google Scholar 

  31. Scheiner S, Redfern P, Szczéśniak MM (1985) J Phys Chem 89:262

    Google Scholar 

  32. Szczéśniak MM, Scheiner M (1985) J Phys Chem 89:1835

    Google Scholar 

  33. Sokalski AW (1987) J Mol Struct (Theochem) 150:235

    Google Scholar 

  34. Loushin SK, Dykstra CE (1987) J Comp Chem 8:81

    Google Scholar 

  35. Eckert M, Zundel G (1987) J Phys Chem 91:5170

    Google Scholar 

  36. Andrès JL, Lledós A, Duran M, Bertrán J (1988) Chem Phys Lett 153:82

    Google Scholar 

  37. Carbonell E, Andrès JL, Lledós A, Duran M, Bertrán J (1988) J Am Chem Soc 110:998

    Google Scholar 

  38. Watts RO (1981) Chem Phys 52:185

    Google Scholar 

  39. Evans MW (1985) Adv Chem Phys 62:183

    Google Scholar 

  40. Alper HE, Levy RM (1990) J Phys Chem 94:8401

    Google Scholar 

  41. Hirschfelder JE, Curtiss CF, Bird RB (1954) Molecular theory of gases and liquid, Wiley, NY

    Google Scholar 

  42. Mackrodt WE (1974) Mol Phys 27:933

    Google Scholar 

  43. Lartner R, Malik DJ (1987) Chem Phys 112:301

    Google Scholar 

  44. Boys SF (1966) in: Löwdin PO (ed) Quantum theory of atoms, molecules and the solid state. Academic Press, NY, p 259

    Google Scholar 

  45. Kitaura K, Morokuma K (1976) Int J Quantum Chem 10:325

    Google Scholar 

  46. Tomasi J, Alagona G, Bonaccorsi R, Ghio C, Cammi R (1991) in: Maksić Z (ed) Theoretical models of chemical bonding, Vol 3, Springer, Berlin, p 545

    Google Scholar 

  47. Umeyama H., Kitaura K, Morokuma K (1975) Chem Phys Lett 36:11

    Google Scholar 

  48. Cammi R, Bonaccorsi R, Tomasi J (1985) Theoret Chim Acta 68:271

    Google Scholar 

  49. Nagase S, Fueno T, Yamabe S, Kitaura K (1978) Theoret Chim Acta 49:309

    Google Scholar 

  50. Cammi R, Tomasi J (1986) Theoret Chim Acta 69:11

    Google Scholar 

  51. Frisch MJ, Pople JA, Binkley JS (1984) J Chem Phys 80:3264

    Google Scholar 

  52. Tomasi J, Bonaccorsi R, Cammi R (1991) in: Maksić Z (ed) Theoretical models of chemical bonding, Vol 4. Springer, Berlin, p 229

    Google Scholar 

  53. Buckingham AD (1978) in: Pullman B (ed) Intermolecular interactions: From diatomics to biopolymers, Wiley, Chichester, p 1

    Google Scholar 

  54. Hobza P, Zahradník R (1980) Weak intermolecular interactions in chemistry and biology. Elsevier, Amsterdam

    Google Scholar 

  55. Van Duijneveldt FB (1969) Doctoral Dissertation, Utrecht (quoted in Ref. 13)

  56. Daudey JP, Claverie P, Malrieu JP (1974) Int J Quantum Chem 8:1

    Google Scholar 

  57. Churchill JN, Arntz FO (1969) Amer J Phys 37:693

    Google Scholar 

  58. Fujimoto F, Kato S, Yamabe S, Fukui K (1974) J Chem Phys 6:572

    Google Scholar 

  59. Klopman G (1974) in: Klopman G (ed) Chemical reactivity and reaction paths. Wiley, NY, p 55

    Google Scholar 

  60. Wangboo MH, Schlegel HB, Wolfe S (1977) J Am Chem Soc 99:1296

    Google Scholar 

  61. Alagona G, Bonaccorsi R, Ghio C, Montagnani R, Tomasi J (1988) Pure & Appl Chem 60:231

    Google Scholar 

  62. Loushin SK, Liu S, Dykstra CE (1986) J Chem Phys 84:2720

    Google Scholar 

  63. Tomasi J, Alagona G, Bonaccorsi R, Ghio C, Cammi R (1990) J Mol Struct (Theochem) 210:311

    Google Scholar 

  64. Tomasi J (1991) Int J Quantum Chem, Quant Biol Symp 18:73

    Google Scholar 

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Authors and Affiliations

  1. Istituto di Chimica Quantistica ed Energetica Molecolare del CNR, Via Risorgimento 35, I-56126, Pisa, Italy

    G. Alagona & C. Ghio

  2. Istituto di Chimica Fisica — Università di Parma, Viale delle Scienze 1, I-43100, Parma, Italy

    R. Cammi

  3. Dipartimento di Chimica e Chimica Industriale, Via Risorgimento 35, I-56126, Pisa, Italy

    J. Tomasi

Authors
  1. G. Alagona
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  2. R. Cammi
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  3. C. Ghio
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  4. J. Tomasi
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Alagona, G., Cammi, R., Ghio, C. et al. Molecular interactions in a homogeneous electric field: the (HF)2 complex. Theoret. Chim. Acta 85, 167–187 (1993). https://doi.org/10.1007/BF01374586

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  • DOI: https://doi.org/10.1007/BF01374586

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