References
For an introduction to these programs, see Clark T., A Handbook of Computational Chemistry, John Wiley and Sons, New York, NY, 1985, 0–471–88211–9.
Dewar M. J. S. and Thiel W., J. Am. Chem. Soc., 99 (1977) 4899.
Bingham R. C., Dewar M. J. S. and Lo D. H., J. Am. Chem. Soc., 97 (1975) 1294.
Dewar M. J. S., Zoebisch E. G., Healy E. F. and Stewart J. J. P., J. Am. Chem. Soc., 107 (1985) 3902.
‘DRAW’, Donn M. Storch, Quantum Chemistry Program Exchange, No. 493, 1985.
Fletcher R. and Powell M. J. D., Comput. J., 6 (1966) 163; Fletcher, R., Comput. J., 8 (1965) 33; Davidon, W. C., Comp. J., 10 (1968) 406.
Broyden C. G., Journal Inst. Mathem. Appl., 6 (1970) 222; Fletcher, R., Comput. J., 13 (1970) 317; Goldfarb, D., Mathem. Comput., 24 (1970) 23; Shanno, D. F., Mathem. Comput., 24 (1970) 647; See also summary in: Shanno, D. F., J. Optim. Theory Appl., 46 (1985) 87.
Armstrong, D. R., Perkins, P. G. and Stewart, J. J. P., J. Chem. Soc., Dalton, 838 (1973).
Two transition state location routines are provided: (a) Komornicki A. K. and McIver J. W., Chem. Phys. Lett., 10 (1971) 303; Komornicki, A. K. and McIver, J. W., J. Am. chem. Soc., 94 (1971) 2625; (b) Bartels, R. H., University of Texas, Center for Numerical Analysis, Report CNA-44, Austin, TX, 1972.
Simons J., Jorgensen P., Taylor H. and Ozment J., J. Phys. Chem., 87 (1983) 2745.
MOPAC, Version 4.00 Manual, available from QCPE, University of Indiana, Bloomington, IN 47405.
For a review, see Truhlar D. G., Steckler R. and Gordon M. S., Chem. Rev. 87 (1987) 217.
Stewart J. J. P., J. Comp. Chem., 10 (1989) 209; Stewart, J. J. P., J. Am. Chem. Soc., 10 (1989) 221.
Roothaan C. C. J., Rev. Mod. Phys., 26 (1951) 89.
Hall G. C., Proc. R. Soc. London, Ser. A., 205 (1951) 541.
Oleari L., DiSipio L. and DeMichells G., Mol. Phys., 10 (1966) 97.
Dewar M. J. S. and Thiel W., Theor. Chim. Acta, 46 (1977) 89.
Dewar M. J. S. and Thiel W., J. Am. Chem. Soc., 99 (1977) 4907.
Parameters taken from MNDOC program, written by Walter Thiel, Quantum Chem. Prog. Exch., No. 438, 2 (1982), 63.
Dewar M. J. S. and Rzepa H. S., J. Am. Chem. Soc., 100 (1978) 777.
Dewar M. J. S. and McKee M. L., J. Am. Chem. Soc., 99 (1977) 5231.
Dewar M. J. S. and McKee M. L., J. Comp. Chem., 4 (1983) 84.
Dewar M. J. S. and Rzepa H. S., J. Am. Chem. Soc., 100 (1978) 58.
Davis L. P., Guidry R. M., Williams J. R., Dewar M. J. S. and Rzepa H. S., J. Comp. Chem., 2 (1981) 433.
Dewar M. J. S., Freidheim J., Grady G., Healy E. F. and Stewart J. J. P., Organometallics, 5 (1986) 375.
Dewar M. J. S., McKee M. L. and Rzepa H. S., J. Am. Chem. Soc., 100 (1978) 3607.
Dewar M. J. S. and Reynolds C. H., J. Comp. Chem., 7 (1986) 140.
Dewar M. J. S. and Rzepa H. S., J. Comp. Chem., 4 (1983) 158.
Dewar M. J. S. and Healy E. F., J. Comp. Chem., 4 (1983) 542.
Dewar M. J. S., Healy E. F. and Stewart J. J. P., J. Comp. Chem., 5 (1984) 358.
Dewar M. J. S., Grady G. L. and Stewart J. J. P., J. Am. Chem. Soc., 106 (1984) 6771.
Dewar M. J. S., Grady G. L., Merz K. and Stewart J. J. P., Organometallics, 4 (1985) 1964.
Dewar M. J. S., Holloway M., Grady G. L. and Stewart J. J. P., Organometallics, 4 (1985) 1973.
Dewar M. J. S. and Yamaguchi Y., Computers and Chemistry, 2 (1978) 25.
Stewart R. F., J. Chem. Phys., 52 (1970) 431.
Armstrong D. R., Fortune R., Perkins P. G. and Stewart J. J. P., J. Chem. Soc. Faraday II, 68 (1972) 1839.
Dewar M. J. S. and Zoebisch E. G., Theochem, 180 (1988) 1.
Dewar M. J. S. and Jie C., Organometallics 6 (1987) 1486.
Dewar M. J. S. and Jie C., Theochem, 187 (1989) 1.
Dewar, M. J. S., Private communication.
Dewar M. J. S., Jie C. and Zoebisch E. G., Organometallics, 7 (1988) 513.
References to Table 1
Cox J.O. and Pilcher G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, NY, 1970.
Chase, M.W., Davies, C.A., Downey, J.R., Frurip, D.R., McDonald, R.A. and Syverud, A.N., JANAF Thermochemical Tables, 3rd ed., J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Pedley, J.B. and Iseard, B.S., CATCH Tables of Silicon Compounds, University of Sussex, 1972.
Stull D.R., WestrumJr. E.F. and Sinke G.C., The Chemical Thermodynamics of Organic Compounds, Wiley, New York, NY, 1969.
Turner R.B., Goebel P., Mallon B.J., vonE. Doering W., Coburn J.F. and Pomerantz M., J. Am. Chem. Soc., 90 (1968) 4315.
Good W.D., Moore R.T., Osborn A.G. and Douslin D.R., J. Chem. Thermodyn., 6 (1974) 303.
Schleyer P.v.R., Williams J.E. and Blanchard K.R., J. Am. Chem. Soc., 92 (1970) 3277.
Average value from two determinations: Mansson M., Rapport N. and Westrum E.F., J. Am. Chem. Soc., 92 (1970) 7296, Butler, R. S., Carson, A. S., Laye, P. G. and Steele, W. V., J. Chem. Thermodyn., 3 (1971) 277.
Chao J. and Zwolinski B.J., J. Phys. Chem. Ref. Data, 5 (1976) 319.
Levin R.D. and Lias S.G., Ionization Potentials and Appearance Potential Measurements, 1971–1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71 (1982), Cat. No. C13.48:71.
Wagman, D.D., Evans, W.H., Parker, V.B., Hawlow, T., Bailey, S.M. and Schumm, R.H., Natl. Bur. Stand. (U.S.), Tech. Note, No. 270–3 (1968) and Errata in NBS Technical Note 270–8 (1981).
Stull, D.R. and Prophet, H., Natl. Stand., Ref. Data Ser. (U.S., Natl. Bur. Stand.) NSRDS-NBS 37, 1971.
Hwang, D., Tamura, M., Yoshida, T., Tanaka, N. and Hosoya, F., J. Energetic Matls, (1989) in press.
Istomin B.I. and Palm V., Reakts. Sposobnosi Org. Soedin. 10 (1973) 583.
Benson S.W., Cruickshank F.R., Golden D.M., Haugen G.R., O'Neal H.E., Rodgers A.S., Shaw R. and Walsh R., Chem. Rev., 69 (1969) 279.
Engel P.S., Wood J.L., Sweet J.A. and Margrave M.L., J. Am. Chem. Soc. 96 (1974) 2381.
Carpenter G.A., Zimmer M.F., Baroody E.E. and Robb R.A., J. Chem. Eng. Data, 15 (1970) 553.
Hobrock B.G. and Kiser R.W., J. Phys. Chem., 67 (1963) 1283.
Rodgers A.S., Chao J., Wilhoit R.C. and Zwolinksi B.J., J. Phys. Chem. Ref. Data, 3 (1974) 117.
Lake R.F. and Thompson H., Proc. R. Soc. London, Ser. A, 315 (1970) 323.
Gordon A.S., Int. J. Chem. Kinet. 4 (1972) 541.
Wagman D.D., Evans W.H., Parker V.B., Schumm R.H., Halow I., Bailey S.M., Churney K.L. and Nuttall R.L., J. Phys. Chem. Ref. Data Suppl. 11 (1982) 2.
Frost D.C., McDowell C.A. and Vroom D.A., J. Chem. Phys., 46 (1967) 4255. Pietro, W.J., Francl, M.M., Hehre, W.J., DeFrees, D.J., Pople, J.A. and Binkley, J.S., J. Am. Chem. Soc., 104 (1982) 5039.
Natl. Bur. Stand. Selected Values of Chemical and Thermodynamic Properties, Rossini, 1st Feb. (1952).
Kudchadker S.A. and Kudchadker A.P., J. Phys. Chem. Ref. Data, 4 (1975) 457.
Ditter G. and Niemann U., Philips J. Res., 37 (1982) 1.
NBS Technical Note 270–3, Jan. (1968).
Walsh R., Acc. Chem. Res., 14 (1981) 246.
Steele W.C., Nichols L.D. and Stone F.G.A., J. Am. Chem. Soc., 84 (1962) 4441.
Pedley, J.B. and Rylance, G., Sussex-N.P.L. Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, Sussex University, 1977.
Steele W.V., J. Chem. Thermodyn., 15 (1983) 595.
Wada Y. and Kiser R.W., J. Phys. Chem., 68 (1964) 2290.
References to Table 2
Levin R.D. and Lias S.G., Ionization Potentials and Appearance Potential Measurements, 1971–1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71 (1982), Cat. No. C13.48:71.
Chase, M.W., Davies, C.A., Downey, J.R., Frurip, D.R., McDonald, R.A. and Syverud, A.N., JANAF Thermochemical Tables, 3rd ed., J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Ditter G. and Niemann U., Philips J. Res. 37 (1982) 1.
Lossing F.P., Can. J. Chem., 49 (1971) 357.
Schroder S. and Thiel W., J. Am. Chem. Soc., 107 (1985) 4422. BEST ab-initio involving at least MP2 correction to 6–31G* wavefunctions.
Franklin, J.L., Dillard, J.G., Rosenstock, H.M., Herron, J.T., Draxl, K. and Field, F.H., Natl. Stand. Ref. Data Ser., Natl. Bur. Stand., No. 26 (1969).
Vogt J. and Beauchamp J.L., J. Am. Chem. Soc., 97 (1975) 6682.
Wu E.C. and Rodgers A.S., J. Phys. Chem., 78 (1974), 2315.
References to Table 3
Bowers M.T., Gas Phase Ion Chemistry, Vol. 2, Academic Press, New York, NY, 1979.
Lossing F.P., Can. J. Chem. 49 (1971) 357.
Halim H., Heinrich N., Koch W., Schmidt J., and Frenking G., J. Comp. Chem., 7 (1986) 93 (and references therein).
Traeger J.C. and McLoughlin R.G., J. Am. Chem. Soc., 103 (1981) 3647.
Bartmess J.E. and McIver R.T., Gas Phase Ion Chemistry, Vol. II, Academic Press, New York, NY, 1979.
Harris J.M., Shafer S.G. and Worley S.D., J. Comput. Chem., 3 (1982) 208.
Lossing F.P. and Maccoll A., Can. J. Chem., 54 (1976) 990.
Abboud J.L., Hehre W.J. and Taft R.W., J. Am. Chem. Soc., 94 (1972) 6072.
Vincow G., Dauben H.J., Hunter F.R. and Volland W.V., J. Am. Chem. Soc., 91 (1969) 2823.
Chase M.W., Curnutt J.L., Hu A.T., Prophet H., Syverud A.N. and Walker L.C., J. Phys. Chem. Ref. Data, 3 (1974) 311.
Franklin, J.L., Dillard, J.G., Rosenstock, H.M., Herron, J.T., Draxl, K. and Field, F.H., Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. No. 26 (1969).
Blint R.J., McMahon T.B. and Beauchamp J.L., J. Am. Chem. Soc., 96 (1974) 1269.
Ridge D.P., J. Am. Chem. Soc., 97 (1975) 5670.
Harland P.W. and Franklin J.L., J. Chem. Phys., 61 (1974) 1621.
References to Table 4
Element in its standard state.
Chase M.W., Curnutt J.L., Hu A.T., Prophet H., Syverud A.N. and Walker L.C., J. Phys. Chem. Ref. Data, 3 (1974) 311.
Chase, M.W., Davies, C.A., Downey, J.R., Frurip, D.R., McDonald, R.A. and Syverud, A.N., JANAF Thermochemical Tables, 3rd ed., J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Herzberg G., Molecular Spectra and Molecular Structure, Vol. I. (Spectra of Diatomic Molecules), 2nd ed., Van Nostrand, New York, NY, 1950.
Willis C., Lossing F.P. and Back R.A., Can. J. Chem. 54 (1967) 1. Note: Foner, S.N. and Hudson, R.L., J. Chem. Phys., 68 (1978) 3162 give the heat of formation of diazine as 50.7±2 kcal/mol.
Wagman, D.D., Evans, W.H., Parker, V.B., Hawlow, T., Bailey, S.M. and Schumm, R.H., Natl. Bur. Stand. (U.S.), Tech. Note, No 270–3 (1968) and Errata in NBS Technical Note 270–8 (1981).
Berkowitz J., Dehmer P.M. and Chupka W.A., J. Chem. Phys., 59 (1973) 925.
Pople J.A. and Curtiss L.A., J. Chem. Phys. 90 (1989) 2833. Ref. gives-19.9 kcal/mol for calculated heat of formation of HOF at OK.
Ditter G. and Niemann U., Philips J. Res. 37 (1982) 1.
DeKock R.L., Higginson B.R., Lloyd D.R., Breeze A., Cruickshank D.W.J. and Armstrong D.R., Mol. Phys., 24 (1972) 1059.
Stull, D.R. and Prophet, H., Natl. Stand. Ref. Data Ser. (U.S. Natl. Bur. Stand.) NSRDS-NBS 37, 1971.
Wagman D.D., Evans W.H., Parker V.B., Schumm R.H., Halow I., Bailey S.M., Churney K.L. and Nuttall R.L., J. Phys. Chem. Ref. Data Suppl. 11 (1982) 2.
Vanderwielen A.J., Ring M.A. and O'Neal H.E., J. Am. Chem. Soc., 97 (1975) 993.
Heaton M.M., J. Chem. Phys., 67 (1977) 5396.
Walsh R., Acc. Chem. Res., 14 (1981) 246.
Schlegel H.B., J. Phys. Chem., 88 (1984) 6254.
Walsh R., J. Chem. Soc. Faraday I, 79 (1983) 2233.
Farber M. and Srivastava R.D., Chem. Phys. Lett. 60 (1979) 216.
Potzinger P., Ritter A. and Krause J., Z. Naturforsch., Teil A, 30 (1975) 347.
References to Table 5
Cox J.O. and Pilcher G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, NY 1970.
Chase, M.W., Davies, C.A., Downey, J.R., Frurip, D.R., McDonald, R.A. and Syverud, A.N., JANAF Thermochemical Tables, 3rd ed., J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Ditter G. and Niemann U., Philips J. Res., 37 (1982) 1.
Larson J.W. and McMahon T.B., J. Am. Chem. Soc., 107 (1985) 766.
Wagman, D.D., Evans, W.H., Parker, V.B., Hawlow, T., Bailey, S.M. and Schumm, R.H., Natl. Bur. Stand. (U.S.), Tech. Note, No 270–3 (1968) and Errata in NBS Technical Note 270–8 (1981).
NBS Technical Note 270–3, Jan. (1968).
Penski, E.C. and Domalski, E.S., CRDEC-TR-87063 (1987).
Wagman D.D., Evans W.H., Parker V.B., Schumm R.H., Halow I., Bailey S.M., Churney K.L. and Nuttall R.L., J. Phys. Chem. Ref. Data Suppl. 11 (1982) 2.
References to Table 6
Weast R.C. (Ed.), CRC Handbook of Chemistry and Physics, 60th ed., CRC Press, Boca Raton, FL, 1980.
Bartmess J.E. and McIver R.T., Gas Phase Ion Chemistry, Vol. II, Academic Press, New York, NY 1979.
Chase, M.W., Davies, C.A., Downey, J.R., Frurip, D.R., McDonald, R.A. and Syverud, A.N., JANAF Thermochemical Tables, 3rd ed., J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Kebarle P., Tamdagni R., Kirooka H. and McMahon T.B., Int. J. Mass Spectrom. Ion Phys., 19 (1976) 71.
Franklin, J.L., Dillard, J.G., Rosenstock, H.M., Herron, J.T., Draxl, K. and Field, F.H., Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. No. 26 (1969).
Wagman D.D., Evans W.H., Parker V.B., Schumm R.H., Halow I., Bailey S.M., Churney K. L. and Nuttall R.L., J. Phys. Chem. Ref. Data Suppl. 11 (1982) 2.
Harland P.W. and Franklin J.L., J. Chem. Phys., 61 (1974) 1621.
Larson J.W. and McMahon T.B., J. Am. Chem. Soc., 107 (1985) 766.
NBS Technical Note 270–3, Jan. (1968).
Nimlos M.R. and Ellison G.B., J. Am. Chem. Soc., 108 (1986) 6522–6529.
References to Table 10
Chase, M.W., Davies, C.A., Downey, J.R., Frurip, D.R., McDonald, R.A., Syverud, A.N., JANAF Thermochemical Tables, 3rd ed., J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Herzberg G., Molecular Spectra and Molecular Structure, III, (Electronic Spectra and Electronic Structure of Polyatomic Molecules), Van Nostrand, New York, NY 1966.
Maki A.G. and Toth R.A., J. Mol. Spectr., 17 (1965) 136.
Stigliani W.M., Laurie V.W. and Li J.C., J. Chem. Phys., 62 (1975) 1890.
Bonham R.A. and Bartell L.S., J. Am. Chem. Soc., 81 (1959) 3491.
Bastiansen O., Fritsch F.N. and Hedberg K., Acta Crystallogr., 17 (1964) 538.
Lide D.R. and Christensen D., J. Chem. Phys., 35 (1961) 1374.
Callomon J.H. and Stoicheff B.P., Can. J. Phys., 35 (1957) 373.
Almenningen A., Bastiansen O. and Traetteberg M., Acta Chem. Scand., 15 (1961) 1557.
Fukuyama T., Kuchitsu K. and Morino Y., Bull. Chem. Soc. Jap., 42 (1969) 379.
Cox K.W., Harmony M.D., Nelson G. and Wiberg K.B., J. Chem. Phys., 50 (1969) 1976.
Haugen W. and Traetteberg M., Acta Chem. Scand., 20 (1966) 1226.
Almenningen A., Anfinsen I.M. and Haaland A., Acta Chem. Scand., 24 (1970) 43.
Meiboom S. and Snyder L.C., J. Chem. Phys., 52 (1970) 3857.
Scharpen L.R.H. and Laurie V.W., J. Chem. Phys., 39 (1963) 1972.
Lide D.R., J. Chem. Phys., 33 (1960) 1519.
McCelland B.W. and Hedberg K., J. Am. Chem. Soc., 109 (1987) 7304.
Tamagawa K., Iijima T. and Kimura M., J. Mol. Struct., 30 (1976) 243.
Baron P.A., Brown R.D., Burden F.R., Domaille P.J. and Kent J.E., J. Mol. Spectrosc., 43 (1970) 401.
Chiang J.F. and Bauer S.H., J. Am. Chem. Soc., 91 (1969) 1898.
Bastiansen O., Fernholt L., Seip H.M., Kambara H. and Kuchitsu K., J. Mol. Struct., 18 (1973) 163.
Herzberg G., Molecular Spectra and Molecular Structure, I (Spectra of Diatomic Molecules), 2nd ed., Van Nostrand, New York, NY 1950.
Takagi K. and Oka T., J. Phys. Soc. Jap., 18 (1963) 1174.
Lees R.M. and Baker J.G., J. Chem. Phys., 48 (1968) 5299.
Cox A.P., Thomas L.F. and Sheridan J., Spectrochim. Acta, 15 (1959) 542.
Blukis U., Kasai P.H. and Myers R.J., J. Chem. Phys., 38 (1963) 2753.
Kuchitsu K., Fukuyama T. and Marino Y., J. Mol. Struct., 1 (1968) 463.
Bak B., Christensen D., Dixon W.B., Hansen-Nygarrd L., Rastrup-Anderson J. and Shottlander M., J. Mol. Spectrosc., 9 (1962) 124.
Kwei G.H. and Curl R.F., J. Chem. Phys., 32 (1960) 1592.
Trotter J., Acta Crystallogr., 13 (1960) 86.
Lister D.G., Tyler J.K., Hog J.H. and Larson N.W., J. Mol. Struct., 23 (1974) 253.
Lide D.R., J. Chem. Phys., 29 (1957) 343.
Costain C.C., J. Chem. Phys., 29 (1958) 864.
Wollrab J.E. and Laurie V.W., J. Chem. Phys., 51 (1969) 1580.
Johnson D.R., Lovas F.J. and Kirchhoff W.H., J. Phys. Chem. Ref. Data, 1 (1972) 1011.
Morley, J.O., J. Chem. Soc. Perkin Trans. II, (1987) in press.
Cradock S., Liescheski P.B., Rankin D.W.H. and Robertson H.E., J. Am. Chem. Soc., 110 (1988) 2758.
Lancaster J.E. and Stoicheff B.J., Can. J. Phys., 34 (1965) 1016.
Sutton L.E., Tables of Interatomic Distances and Configurations in Molecules and Ions, (Special Publication No. 11+18), Chem. Soc., London (1958), (1965).
Kilb R.W., J. Chem. Phys., 23 (1955) 1736.
Callomon J.H., Hirota E., Kuchitsu K., Lafferty W.J., Maki A.G. and Pote C.S., Structure Data on Free Polyatomic Molecules, (Landolt-Bornstein, New Series, Group II, Vol. 7), Springer-Verlag, Berlin, 1976.
Bak B., Christensen D., Hansen-Nygarrd L. and Rastrup-Anderson J., J. Mol. Spectrosc., 7 (1961) 58.
Watson J.K.G., J. Mol. Spectrosc., 48 (1973) 479.
Anderson D.W.W., Rankin D.W.H. and Robertson A., J. Mol. Struct., 14 (1972) 385).
Rosmus P., Stafast H. and Bock H., Chem. Phys. Lett., 34 (1975) 275.
Sutter R., Driezler H. and Rudolph F.Z., Naturforschung A, 20 (1965) 1676.
Duncan J.L., J. Mol. Struct., 6 (1970) 447.
Carlos J.L., Karl R.R. and Bauer S.H., J. Chem. Soc. Faraday Trans. 2 (1974) 177.
Ogata T., Fujii K., Yoshikawa M. and Hirota F., J. Am. Chem. Soc., 109 (1987) 7639.
Tyler J.K. and Sheridan J., Trans. Faraday Soc., 59 (1963) 2661.
Rodgers A.S., Chao J., Wilhoit R.C. and Zwolinski B.J., J. Phys. Chem. Ref. Data, 3 (1974) 117.
Chen S.S., Wilhoit A.C. and Zwolinski B.J., J. Phys. Chem. Ref. Data 5 (1975) 571.
Hagen K. and Lunelli B., J. Phys. Chem., 93 (1989) 1326.
References to Table 11
Chase, M. W., Davies, C. A., Downey, J. R., Frurip, D. R., McDonald, R. A. and Syverud, A. N., JANAF Thermochemical Tables, 3rd ed., J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Herzberg G., Molecular Spectra and Molecular Structure, III (Electronic Spectra and Electronic Structure of Polyatomic Molecules), Van Nostrand, New York, NY 1966.
Herzberg G., Molecular Spectra and Molecular Structure, I (Spectra of Diatomic Molecules), 2nd ed., Van Nostrand, New York, NY 1950.
Oelfke W. C. and Gordy W., J. Chem. Phys., 51 (1969) 5336.
Tyler J. K., J. Mol. Spectrosc., 11 (1963) 39.
Winnewisser G., Winnewisser M. and Gordy W., J. Chem. Phys., 49 (1968) 3465.
Donohue J., Caron A. and Goldish E., J. Am. Chem. Soc., 83 (1961) 3748.
Caron A. and Donohue J., Acta Crystallogr., 18 (1965) 562.
Kuipers G. A., Smith D. F. and Nielsen A. N., J. Chem. Phys., 25 (1956) 275.
Hargittai I., Acta Chem. (Budapest), 49 (1969) 351.
Huber K. P. and Herzberg G., Molecular Spectra and Molecular Structure, IV, (Constants for Diatomic Molecules), Van Nostrand, Reinhold, New York, NY 1979.
Callomon J. H., Hirota E., Kuchitsu K., Lafferty W. J., Maki A. G. and Pote C. S., Structure Data on Free Polyatomic Molecules (Landolt-Bornstein, New Series, Group II, Vol. 7), Springer-Verlag, Berlin, 1976.
Greenwood N. N. and Earnshaw A., Chemistry of the Elements, Pergamon Press, Oxford, 1984, p. 976.
Stull, D.R. and Prophet, H., Natl. Stand. Ref. Data Ser. (U.S., Natl. Bur. Stand.) NSRDS-NBS 37, 1971.
Meadows J. H. and SchaeferIII H. F., J. Am. Chem. Soc., 98 (1976) 4383.
Davis R. W. and Gerry M. C. L., J. Mol. Spectrosc., 60 (1976) 117.
Shotton K. C., Lee A. G. and Jones W. J., J. Raman Spectrosc., 1 (1973) 243.
References to Table 15
Nelson, R.D., Lide, D.R. and Maryott, A.A., Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
Baron P.A., Brown R.D., Burden F.R., Domaille P.J. and Kent J. E., J. Mol. Spectrosc., 43 (1970) 401.
Nygaard L., Nielsen J.T., Kirchheimer J., Maltesen G., Rastrup-Andersen J. and Sorensen G.O., J. Mol. Struct., 3 (1969) 491.
Sorensen G.O., Mahler L. and Rastrup-Andersen J., J. Mol. Struct., 20 (1974) 119.
Cox A.P., Brittain A.H. and Finnigan D.J., Trans. Faraday Soc., 67 (1971) 2179.
Lattimer R.P. and Harmony M.D., J. Phys. Chem. 53 (1970) 4575.
McClellan A.L., Tables of Experimental Dipole Moments, Vol. 2, Rahara Enterprises, El Cerrito, 1974.
McClellan A.L., Tables of Experimental Dipole Moments, Freeman, San Francisco, CA, 1963.
Muenter J.S. and Klemperer W., J. Chem. Phys., 52 (1970) 6033.
Wofsy C.S., Muenter J.S. and Klemperer W., J. Chem. Phys., 55 (1971) 2014.
Tyler J.K. and Sheridan J., Trans. Faraday Soc., 59 (1963) 2661.
Rock S.L., Pearson E.F., Appleman E.H., Norris C.L. and Flygare W.H., J. Chem. Phys., 59 (1973) 3940.
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Stewart, J.J.P. MOPAC: A semiempirical molecular orbital program. J Computer-Aided Mol Des 4, 1–103 (1990). https://doi.org/10.1007/BF00128336
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DOI: https://doi.org/10.1007/BF00128336