Bibliographie
[1] Lucjan Piela, Ideas of Quantum Chemistry, Elsevier (2007).
[2] R. Kelterbaum and E. Kochanski, J. Mol. Struct.: THEOCHEM
371, 205 (1996).
[3] E. Kochanski, R. Kelterbaum, S. Klein, M.-M. Rohmer, and A.
Rahmouni, Adv. Quantum Chem. 28, 273 (1997).
[4] E. Kochanski and R. Kelterbaum, J. Phys. Chem.
99, 12493 (1995).
[5] M. Tuckermann, K. Laasonen, M. Sprik, and M. Parrinello, J.
Phys. Chem. 99, 5749 (1995).
[6] M. Tuckermann, K. Laasonen, M. Sprik, and M. Parrinello, J.
Chem. Phys. 103, 150 (1995).
[7] R. Moszynski, P.E.S. Wormer, B. Jeziorski, A van der Avoird,
J. Chem. Phys. 103 8058 (1995); 107 672
(1997).
[8] V. Lotrich and K. Szalewicz, J. Chem. Phys.
106, 9668 (1997).
[9] H.L. Williams, C.F. Chabalowski, J. Phys. Chem. A,
105, No. 3, 646 (2001).
[10] Modern Electronic Structure Theory (Part II), Editor David
R. Yarkony,
(1995), ISBN:9810219601.
[11] Molecular Physics, 89, 81 (1996).
[12] K. Szalewicz, B. Jeziorski, Mol. Phys.,
38, 191, (1979).
[13] Moszynski, R., Jezioski, B. , and Szalewicz, K. , J. Chem.
Phys. , 100, 1312, (1994).
[14] H. L. Williams, K. Szalewicz, R. Mosynski, and B.
Jeziorski, J. Chem. Phys., 103, 4586 (1995).
[15] B. Jeziorski, and W. Kolos, Int. J. Quantum Chem. Suppl. 1,
12, 91 (1977).
[16] B. Jeziorski, and W. Kolos, Molecular Interactions, Vol. 3,
edited by H. Ratajczak and W. J. Orville-Thomas(New York: Wiley), 1 (1982).
[17] T. Cwiok, B. Jeziorski, W. Kolos, R. Mosynski, and K.
Szalewicz, J. Chem. Phys., 97, 7555 (1992).
[18] T. Cwiok, B. Jeziorski, W. Kolos, R. Mosynski, and K.
Szalewicz, J. Molec. Struct. Theochem., 307, 135 (1994).
[19] P. Hohenberg, W. Kohn, W. Phys. Rev. B,
136, 864 (1964).
[20] Exploring Chemistry With Electronic Structure Methods: A
Guide to Using Gaussian (Paperback) by James B. Foresman and AEleen
Frisch.
[21] S.F. Boys and Bernardi, Mol. Phys., 19,
553 (1970).
[22] E. Kochanski, in Intermolecular Forces, The
Jerusalem Symposium on Quantum Chemistry and Biochemistry, edited by B. Pullman
(Reidel, Dordrecht ), Vol. 14, p.15 (1981).
[23] G. Chalasinski, M.M. Szczesniak, and S.M. Cybulski, J.
Chem. Phys., 92, 2481 (1990).
[24] G. Chalasinski , M.M. Szczesniak, and R.A. Kendall, ibid.
101, 8860 (1994).
[25] M. Dreyfus and A. Pullman, Theo. Chim. Acta
19, 20 (1970).
[26] M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G.
Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery,
K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman,
C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R.
Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P.
Stewart, M. Head-Gordon, C. Gonzalez, and J.A. Pople, GAUSSIAN 94, Revision
B.2, Gaussian, Inc., Pittsburgh PA, (1995).
[27] Modern Electronic Structure Theory (Part I), Editor David
R. Yarkony,
(1995), ISBN:9810219598.
[28] A. Lembarki, Thèse, U.C.B. Lyon-1, France (1994).
[29] N.H. March, "Electron Density Theory of A toms and
Molecules" , (Academic Press, 1992); S. Lundqvist and N.H. March, "Theory
of the Inhomogenous Electron Gas", (Plenum Press, 1983).
[30] E.P. Wigner, Phys. Rev., 46, 1002
(1934).
[31] E. Clementi, G. Gorongiu, and O.G. Stradella, in MOTTEC
(Modern Techniques in Computational Chemistry), ed., E. Clementi,
(ESCOM Leiden, The Netherlands (1991).
[32] D.R. Hartree, «The Calculation of Atomic
Structures», (Wiley, New York, 1957).
[33] W. Pauli, Z. Physik, 43, 601 (1927).
[34] J.C. Slater, «Quantum Theory of Matter»,
McGraw-Hill, New York, (1951). [35-36] C.C.J. Roothan et Hall, Rev. Mod. Phys.,
23, 69 (1951) et 32, 179 (1960).
[37] R.S. Mulliken, J. Chem. Phys., 46, 497
(1949).
[38] V.A. Fock, Z. Physik, 89, 145 (1935).
[39] Wen-Fa Lu, Chul Koo Kim, Jae Hyung Yee, and Kyun Nahm, The
Americal Physical Society, Physical Review D, 64, 025006
(2001).
[40] Nakatsuji Hiroshi, Journal of Chemical Physics,
115, Issue 6, pp. 2465-2475 (2001).
[41] F. Coester, Nucl. Phys., 7, 421 (1958).
[42] F. Coester and H. Kümmel, Nucl. Phys.,
17, 477 (1960).
[43] A. deShalit and H. Feschbach, «Theoritical Nuclear
Physics», 1, N uclear Structure, Chap. 3, Jhon Wiley
and Sones, New York, (1974).
[44] J.M. Eisenberg and W. Greiner, «Nuclear
Theory», 3, Microscopic Theory of Nucleus, chap.4,
North-Holland, Publishing Co., Amsterdam, (1972).
[45] J. Cizek, J. Chem. Phys., 45, 4256
(1966).
[46] J. Cizek, Adv. Chem. Phys., 14, 35
(1969).
[47] J.A. Pople, R. Krishnan, H.B. Schlegel and J.S. Binkley,
Int. J. Quant. Chem., 14, 545 (1978).
[48] J.A. Pople, M. Gordon, and Raghavachari, J. Chem. Phys.,
87, 5968 (1978).
[49] R. F. Bishop and H.G. Kümmel, Phys. Today,
40, 52 (1987).
[50] L. H. Thomas, Proc. Camb. Phil. Soc., 23,
542 (1927).
[51] E. Fermi, Rend. Accad. Lincei, 6, 602
(1927).
[52] J.C. Slater, Phys. Rev., 81, 385(1951).
[53] P. Hohenberg and W. Kohn, Phys. Rev., B
136, 864 (1964).
[54] W. Kohn, L.J. Sham, Phys. Rev., A 140, 1133 (1965).
[56] J.P. Perdew and W. Yang , Phys. Rev., B
33, 8800 (1986).
[57] J.P. Perdew, in «Electronic Structure of Solids 91,
Eds. P. Ziesche and H. Eschrig, (Academic Veralg, Berlin, 1991).
[58] A.D. Becke, Phys. Rev., A 38, 3098
(1988).
[59] T. Korona, R. Moszynski, and B. Jeziorski, J. Chem. Phys.
105, 8178 (1996).
[60] B. Jeziorski, M. Bulski, and L. Piela, Int. J. Quantum
Chem. 10, 281 (1976).
[61] R. Moszynski, P. E. S. Wormer, T. G. A. Heijmen, and A. van
der Avoird, J. Chem. Phys. 108, 579 (1998).
[62] B. Jeziorski, Ph.D. thesis, University of Warsaw, Warsaw
(1974).
[63] M. Bulski and G. Chalasinski, Theor. Chim. Acta
56, 199 (1980).
[64] I. Shavitt, in «Methods of Electronic Structure
Theory», Vol. 3 of Modern Theoretical Chemistry, eds. H.F. Schaefer
(Plenum Press, New York, 189 (1977).
[65] S.S. Xantheas, J. Am. Chem. Soc. 117,
10373 (1995).
[66] Y. Kazi Aouel, Thèse de Magister, University of
Tlemcen, Algeria (1997).
[67] G. Andaloro, M. A. Palazzo, M. Migliore, and S. L. Fornili,
Chem. Phys. Lett., 149, 201 (1988).
[68] H.L. Friedman and C.V. Krishnan, in Water: A
Comprehensive Treatise, edited by F. Franks, Plenum, New York,
3, 58 (1972).
[69] L.M. Branscomb, Phys. Rev., 148, 11
(1966).
[70] O. Matsuoka, E. Clementi, and M. Yoshimine, J. Chem. Phys.,
64, 2314 (1976).
[71] T. H. Dunning, Jr., J. Chem. Phys., 90,
1007 (1989).
[72] R.A. Kendall, T.H. Dunning, Jr., and R.J. Harrison,
ibid, 96, 6796 (1992).
[73] Interatomic Distances, The Chemical Society of
London, Special Publication No. 11, (1958); Supplement,
Special Publication No. 18 (1965).
[74] J.C. Owrutsky, N.H. Rosenbaum, L.M. Tack, and R.J.
Saykally, J. Chem. Phys. 83, 5338 (1986).
[75] M.D. Newton and S. Ehrenson, J. Am. Chem. Soc. 93,
N° 20, 4971 (1971).
[76] A.M. Sapse, L. OSORIO and G. Snyder, INTERNATIONAL JOURNAL
OF QUANTUM CHEMISTRY, VOL 26, 223 (1984).
[77] M.Arshadi, P.Kebarle, J.Phys.Chem. 74,
1483 (1970).
[78] M.Meot-Ner (Mautner), J.Am.Chem.Soc. 108,
6189 (1986).
[79] M.Meot-Ner (Mautner), C.V.Speller, J.Phys.Chem.,
90, 6616 (1986).
[80] J.D.Madura, W.L.Jorgensen, J.Am.Chem.Soc.
108, 2517(1986).
[81] G.Andaloro, M.A.Palazzo, M.Migliore, S.L.Fornnili,
Chem.Phys.Lett. 201,149 (1988).
[82] M.Tuckerman, K.Lassonen, M. Sprik, M.Parrinello, J.Phys.:
Condens. Matter, 6A93(1994).
[83] I.Tunon, D.Rinaldi, M.F.Ruiz-Lopez, J.L.Rivail,
J.Phys.Chem. 99, 3798 (1995).
[84] S.S.Xantheas, J.Am.Chem.Soc., 117, 10379
(1995).
[85] A.R.Grimm, G.B.Bacskay, A.D.Haymet, Mol.Phys.
86, 369 (1995).
[86] M.Tuckerman, K.Lassonen, M. Sprik, M.Parrinello,
J.Chem.Phys. 103,150 (1995).
[87] M.Tuckerman, K.Lassonen, M. Sprik, M.Parrinello,
J.Phys.Chem. 99, 5749 (1995).
[88] M.Tuckerman, M.Sprik, M.Parrinello, Femtochemistry ,
578(1996).
[89] C.P.del Valle, J.J.Novoa, Chem.Phys.Lett.
269, 40 1(1997).
[90] J.J.Novoa, F.Mota, C.P.del Valle, M.Planas,
J.Phys.Chem. A 101,7842 (1997).
[91] M.Masamura, J.Mol. Struct. (Theochem) 498,
87 (2000).
[92] M.Masamura, J.Comput.Chem. 22,
31(2001).
[93] M. Masamura, ab initio study of OH-(H2O)n and
SH-(H2O)n in the gas phase, accepté dans Chem.Phys.Lett..
Department of Preventive Dentistry, Okayama University Dental School,
Shikata-cho 2-5-1, Okayama, 700-8525 Japan (sous presse).
[94] C.E. Klots and R.N. Compton, J. Chem. Phys.,
69, 1644 (1978).
[95] M. Knapp, O. Echt, D. Kreisle and E. Recknagel, J. Chem.
Phys., 85, 636 (1986).
[96] J.M. van Doren, S.E. Barlow, C.H. Depuy and V.M. Bierbaum,
Int. J.Mass Spectrom. Ion Proc., 81, 85 (1987).
[97] X. Yang and A.W. Castleman, J. Phys. Chem.,
94, 8500 (1990).
[98] M. De Paz, A.G. Giardini and L.J. Friedman, J. Chem. Phys.,
52, 687 (1970).
[99] J.D. Payzant, R. Yamdagni and P. Kebarle, P. Can. J. Chem.,
49, 3308 (1971).
[100] M.M. Szczesniak, S.J. Scheiner, J. Chem. Phys.,
77, 4586 (1982).
[101] C. McMichael Rohlfing, L.C. Allen, C.M. Cook, J. Chem.
Phys., 78, 2498 (1983).
[102] K. Ohta, K. Morokuma, J. Phys. Chem., 89,
5845 (1985).
[103] J.L. Andrés, M. Duran, A. Lledos, J. Bertran, J.
Chem. Phys., Lett., 124, 177 (1986).
[104] E. Carbonell, J.L. Andrés, A. Lledos, M. Duran, J.
Bertran, J.Am.Chem.Soc., 110, 996 (1988).
[105] J.E. De Bene, J. Phys. Chem., 92, 2874
(1988).
[106] P.A. Giguère, Rev. Chim. Miner.,
20, 588 (1983).
[107] V.D. Maiorov, L.V. Bocharova and N.B. Librovich, Russ. J.
Phys. Chem., 56, 67 (1982).
[108] N.B. Librovich and V.D. Maiorov , Russ. J. Phys. Chem.,
56, 380 (1982).
[109] V.D. Maiorov, L.V. Bocharova, N.B. Librovich, G.G.
Bikbaeva and M.L. Vinnik, Russ. J. Phys. Chem., 52, 688
(1978).
[110] W.R. Busing, D.F. Hornig, J. Phys. Chem.,
65, 284 (1961).
[111] Clusters: A new state of matter. LBL Res. Rev.,
16, 2 (1991).
[112] H.B. Schlegel, J. Comput. Chem. 3, 214
(1982).
[113] M. Mascagni, Advanced Monte Carlo Method , Swiss Federal
Institute of Technology Zurich.
[114] D. Spelsberg, J. Chem. Phys., 111, 9625
(1999).
[115] G.C. Nielson, G.A. Parker, and R.T. Pack, J. Chem. Phys.,
64, 2055 (1976).
[116] Dachsel, Holger, J. Chem. Phys., 124,
144115 (2006).
[117] D. Spelsberg, T. Lorenz, and W. Meyer, J. Chem. Phys.,
99, 7845 (1993).
[118] D. Spelsberg, and W. Meyer, J. Chem. Phys.,
108, 1532 (1998).
[119] A.V. Podolskiy, and P. Vogl, Physical Review, B
69, 233101 (2004).
[120] A.D Esposti and H-J Werner, J. Chem. Phys.,
93, 3351 (1990).
[121] S.P. Karna, J. Chem. Phys., 104, 6590
(1996).
[122] L. Adamowicz, J. Chem. Phys., 89, 6305
(1988).
[123] U. Dinur, J. Mol. Struct.: THEOCHEM 303,
227 (1994).
[124] N.Turki, A.Milet, A.Rahmouni, O.Ouamerali, R.Moszynski,
E.Kochanski, and P.E.S.Wormer, J. Chem. Phys. 109, 7
157(1998).
[125] N. Turki , A. Milet, O. Ouamerali, R.
Moszynski,E. Kochanski, J. Mol. Struct. (Theochem) 577, 239
(2002).
[126] K. Jankowski and K. Kowalski, Phys. Rev. Letters,
81, 1195 (1998) J. Chem. Phys. 110, 37-93
(1999), ibid. 111, 2940-2952 (1999).
[127] M. Faraday, Experimental Researches in electricity, Vol.
1, 1844, Vol.2,
1849, Vol. 3, 1855 (1839).
[128] H. Goldschmitt, O. Udby, Z. Physik. Chem.,
60, 728 (1907).
[129] R.Kelterbaum, Thèse de Doctorat, Université
Louis Pasteur, Strasbourg I, (1995).
Articles Internationaux
Le travail de cette thèse a donné lieu à
deux d'articles internationaux publiés:
1) THEORITICAL STUDY OF THE OH-(H2O)2 SYSTEM :
NATURE AND IMPORTANCE OF THREE BODY INTERACTIONS N.Turki,
A.Milet, A.Rahmouni, O.Ouamerali, R.Moszynski, E.Kochanski, and P.E.S.Wormer,
J. Chem. Phys. 109, 7 157(1998).
2) The OH-(H2O)2 SYSTEM : EFFICIENCY OF AB INITIO AND
DFT
CALCULATIONS FOR TWO AND THREE-BODY INTERACTIONS
Turki Naima, Milet Anne, Ouamerali Ourida, Moszynski Robert,
Kochanski Elise, J. Mol. Struct. (Theochem) 577,
239 (2002).
Journal of molecular structure. Theochem ISSN 0166-1280 CODEN
JMOSB4.
· Un autre article, portant sur les interactions
intermoléculaires dans les molécules RbOH sera
concrétisé prochainement.
Perspectives
Le travail réalisé a donné des
résultats qui ont amélioré la connaissance des
systèmes étudiés et qui sont importants dans les domaines
de chimie, biologie et physique. Ceci nous encourage à poursuivre la
modélisation moléculaire pour des systèmes plus difficiles
à étudier, en particulier nous nous interessons aux interactions
intermoléculaires à courte et grande distance dans les complexes
de Van der Waals à couches ouvertes.
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