-
1
-
-
9444249320
-
-
In partial fulfillment of the requirements for the Ph.D. thesis in Chemical Sciences, University of Bologna
-
In partial fulfillment of the requirements for the Ph.D. thesis in Chemical Sciences, University of Bologna.
-
-
-
-
2
-
-
0028441988
-
-
Borghi, R.; Lunazzi, L.; Placucci, G.; Krusic, P. J.; Dixon, D. A.; Knight, L. B., Jr. J. Phys. Chem. 1994, 98, 5395.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 5395
-
-
Borghi, R.1
Lunazzi, L.2
Placucci, G.3
Krusic, P.J.4
Dixon, D.A.5
Knight Jr., L.B.6
-
3
-
-
0346340300
-
-
(a) Morton, J. R.; Preston, K. F.; Krusic, P. J.; Hill, S. A.; Wasserman, E. J. Phys. Chem. 1992, 96, 3576.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 3576
-
-
Morton, J.R.1
Preston, K.F.2
Krusic, P.J.3
Hill, S.A.4
Wasserman, E.5
-
4
-
-
0001578836
-
-
(b) Krusic, P. J.; Roe, D. C.; Johnson, E.; Morton, J. R.; Preston, K. F. J. Phys. Chem. 1993, 97, 1736.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 1736
-
-
Krusic, P.J.1
Roe, D.C.2
Johnson, E.3
Morton, J.R.4
Preston, K.F.5
-
5
-
-
37049077051
-
-
Keizer, P. N.; Morton, J. R.; Preston, K. F. J. Chem. Soc., Chem. Commun. 1992, 1259.
-
(1992)
J. Chem. Soc., Chem. Commun.
, pp. 1259
-
-
Keizer, P.N.1
Morton, J.R.2
Preston, K.F.3
-
6
-
-
9444250495
-
-
note
-
The positive muon is a short-lived particle (τ = 2.2 μs) with a mass that is 1/9 that of a proton and a magnetic moment 3.1834 times that of the proton. Muonium is a muon bound to an electron that behaves as a light isotope of hydrogen.
-
-
-
-
7
-
-
0001693420
-
-
Niedermayer, C.; Reid, I. D.; Roduner, E.; Ansaldo, E. J.; Bernhard, C.; Binninger, U.; Glükler, H.; Recknagel, E.; Budnick, J. I.; Weidinger, A. Phys. Rev. B 1993, 47, 10923.
-
(1993)
Phys. Rev. B
, vol.47
, pp. 10923
-
-
Niedermayer, C.1
Reid, I.D.2
Roduner, E.3
Ansaldo, E.J.4
Bernhard, C.5
Binninger, U.6
Glükler, H.7
Recknagel, E.8
Budnick, J.I.9
Weidinger, A.10
-
8
-
-
0001312301
-
-
Morton, J. R.; Negri, F.; Preston, K. F. Chem. Phys. Lett. 1994, 218, 467. See also: Klemt, R.; Roduner; Fischer, H. Acta Chem. Scand. Accepted for publication.
-
(1994)
Chem. Phys. Lett.
, vol.218
, pp. 467
-
-
Morton, J.R.1
Negri, F.2
Preston, K.F.3
-
9
-
-
0001312301
-
-
Accepted for publication
-
Morton, J. R.; Negri, F.; Preston, K. F. Chem. Phys. Lett. 1994, 218, 467. See also: Klemt, R.; Roduner; Fischer, H. Acta Chem. Scand. Accepted for publication.
-
Acta Chem. Scand.
-
-
Klemt, R.1
Roduner2
Fischer, H.3
-
10
-
-
0013571348
-
-
Addison-Jones, B.; Percival, P. W.; Brottovitch, J.-C.; Ji, F.; Wlodek, S.; Selegue, J. P.; Meier, M. S.; Wakefield, J. B. Hyperfine Interact. 1994, 86, 817.
-
(1994)
Hyperfine Interact.
, vol.86
, pp. 817
-
-
Addison-Jones, B.1
Percival, P.W.2
Brottovitch, J.-C.3
Ji, F.4
Wlodek, S.5
Selegue, J.P.6
Meier, M.S.7
Wakefield, J.B.8
-
11
-
-
37049068409
-
-
Lappas, A.; Vavekis, K.; Prassides, K. J. Chem. Soc., Chem. Commun. 1994, 2743.
-
(1994)
J. Chem. Soc., Chem. Commun.
, pp. 2743
-
-
Lappas, A.1
Vavekis, K.2
Prassides, K.3
-
16
-
-
0000513583
-
The Challenge of d and f Electrons: Theory and Computation
-
Salahub, D. R., Zerner, M. C., Eds.; American Chemical Society: Washington, DC
-
(a) Andzelm, J.; Wimmer, E.; Salahub, D. R. The Challenge of d and f Electrons: Theory and Computation, Salahub, D. R., Zerner, M. C., Eds.; ACS Symposium Series. No. 394; American Chemical Society: Washington, DC, 1989; p 228.
-
(1989)
ACS Symposium Series. No. 394
, pp. 228
-
-
Andzelm, J.1
Wimmer, E.2
Salahub, D.R.3
-
17
-
-
0002553839
-
-
Labanowski, J., Andzelm, J., Eds.; Springer Verlag: New York
-
(b) Andzelm, J. In Density Functional Theory in Chemistry; Labanowski, J., Andzelm, J., Eds.; Springer Verlag: New York, 1991; p 155.
-
(1991)
Density Functional Theory in Chemistry
, pp. 155
-
-
Andzelm, J.1
-
19
-
-
9444246993
-
-
note
-
(d) DGauss is a density program available via the Cray Inichem Project.
-
-
-
-
20
-
-
0001470765
-
-
Godbout, N.; Salahub, D. R.; Andzelm, J.; Wimmer, E. Can. J. Chem. 1992, 70, 560.
-
(1992)
Can. J. Chem.
, vol.70
, pp. 560
-
-
Godbout, N.1
Salahub, D.R.2
Andzelm, J.3
Wimmer, E.4
-
22
-
-
0000721485
-
The Challenge of d and f Electrons: Theory and Computation
-
Salahub, D. R., Zerner, M. C., Eds.; American Chemical Society: Washington, DC
-
(b) Becke, A. D. In The Challenge of d and f Electrons: Theory and Computation; Salahub, D. R., Zerner, M. C., Eds.; ACS Symposium Series, No. 394; American Chemical Society: Washington, DC, 1989; p 166.
-
(1989)
ACS Symposium Series, No. 394
, pp. 166
-
-
Becke, A.D.1
-
26
-
-
0000541417
-
-
Closs, G. L.; Gautman, P.; Zhang, D.; Krusic, P. J.; Hill, S. A.; Wasserman, E. J. Phys. Chem. 1992, 96, 5228.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 5228
-
-
Closs, G.L.1
Gautman, P.2
Zhang, D.3
Krusic, P.J.4
Hill, S.A.5
Wasserman, E.6
-
27
-
-
0001586555
-
-
Segal, B. G.; Kaplan, M.; Fraenkel, G. K. J. Chem. Phys. 1965, 43, 4191.
-
(1965)
J. Chem. Phys.
, vol.43
, pp. 4191
-
-
Segal, B.G.1
Kaplan, M.2
Fraenkel, G.K.3
-
30
-
-
0345877905
-
-
Russell, G. A.; Chang, K. Y. J. Am. Chem. Soc. 1965, 87, 4381. Russell, G. A.; Chang, K. Y.; Jefford, C. W. J. Am. Chem. Soc. 1965, 87, 4383. Norman, R. O. C.; Gilbert, B. C. J. Phys. Chem. 1967, 71, 14. King, F. W. Chem. Rev. 1976, 76, 157.
-
(1965)
J. Am. Chem. Soc.
, vol.87
, pp. 4381
-
-
Russell, G.A.1
Chang, K.Y.2
-
31
-
-
0345877906
-
-
Russell, G. A.; Chang, K. Y. J. Am. Chem. Soc. 1965, 87, 4381. Russell, G. A.; Chang, K. Y.; Jefford, C. W. J. Am. Chem. Soc. 1965, 87, 4383. Norman, R. O. C.; Gilbert, B. C. J. Phys. Chem. 1967, 71, 14. King, F. W. Chem. Rev. 1976, 76, 157.
-
(1965)
J. Am. Chem. Soc.
, vol.87
, pp. 4383
-
-
Russell, G.A.1
Chang, K.Y.2
Jefford, C.W.3
-
32
-
-
0041719257
-
-
Russell, G. A.; Chang, K. Y. J. Am. Chem. Soc. 1965, 87, 4381. Russell, G. A.; Chang, K. Y.; Jefford, C. W. J. Am. Chem. Soc. 1965, 87, 4383. Norman, R. O. C.; Gilbert, B. C. J. Phys. Chem. 1967, 71, 14. King, F. W. Chem. Rev. 1976, 76, 157.
-
(1967)
J. Phys. Chem.
, vol.71
, pp. 14
-
-
Norman, R.O.C.1
Gilbert, B.C.2
-
33
-
-
0001285890
-
-
Russell, G. A.; Chang, K. Y. J. Am. Chem. Soc. 1965, 87, 4381. Russell, G. A.; Chang, K. Y.; Jefford, C. W. J. Am. Chem. Soc. 1965, 87, 4383. Norman, R. O. C.; Gilbert, B. C. J. Phys. Chem. 1967, 71, 14. King, F. W. Chem. Rev. 1976, 76, 157.
-
(1976)
Chem. Rev.
, vol.76
, pp. 157
-
-
King, F.W.1
-
34
-
-
9444258109
-
-
note
-
An analogous spectrum was obtained using iodobenzene.
-
-
-
-
35
-
-
9444255806
-
-
note
-
5.
-
-
-
-
36
-
-
0001607889
-
-
(a) Fagan, P. J.; Krusic, P. J.; Mc Ewen, C. N.; Lazar, J.; Parker, D. H.; Herron, N.; Wasserman, E. Science 1993, 262, 404.
-
(1993)
Science
, vol.262
, pp. 404
-
-
Fagan, P.J.1
Krusic, P.J.2
Mc Ewen, C.N.3
Lazar, J.4
Parker, D.H.5
Herron, N.6
Wasserman, E.7
-
38
-
-
9444250493
-
-
To be submitted for publication
-
(c) Krusic, P. J.; Kleier, D, To be submitted for publication.
-
-
-
Krusic, P.J.1
Kleier, D.2
-
39
-
-
0000589536
-
-
Morton, J. R.; Preston, K. F.; Krusic, P. J.; Hill, S. A.; Wasserman, E. J. Am. Chem. Soc. 1992, 114, 5454.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 5454
-
-
Morton, J.R.1
Preston, K.F.2
Krusic, P.J.3
Hill, S.A.4
Wasserman, E.5
-
40
-
-
9444239813
-
-
note
-
Elevated temperatures using 2,3,5-trichlorobenzene as solvent produced spectra of higher intensity in this case because the dimerization equilibrium is shifted in favor of the radical monomers.
-
-
-
-
41
-
-
9444282687
-
-
note
-
25c
-
-
-
-
42
-
-
0000903070
-
-
Matsuzawa, N.; Dixon, D. A.; Krusic, P. J. J Phys. Chem. 1992, 96, 8317.
-
(1992)
J Phys. Chem.
, vol.96
, pp. 8317
-
-
Matsuzawa, N.1
Dixon, D.A.2
Krusic, P.J.3
-
45
-
-
0011625667
-
-
(c) Morton, J. R.; Negri, F.; Preston, K. F. Can. J. Chem. 1994, 72, 776.
-
(1994)
Can. J. Chem.
, vol.72
, pp. 776
-
-
Morton, J.R.1
Negri, F.2
Preston, K.F.3
-
48
-
-
0001454547
-
-
(c) Estreicher, S. K.; Latham, C. D.; Heggie, M. I.; Jones, R.; Öberg Chem. Phys. Lett. 1992, 196, 311.
-
(1992)
Chem. Phys. Lett.
, vol.196
, pp. 311
-
-
Estreicher, S.K.1
Latham, C.D.2
Heggie, M.I.3
Jones, R.4
Öberg5
-
49
-
-
9444271003
-
-
In ref 8 isomer A was found to be the least stable
-
In ref 8 isomer A was found to be the least stable.
-
-
-
-
50
-
-
33748543526
-
-
Karfunkel, H. R.; Hirsch, A. Angew. Chem., Int. Ed. Engl. 1992, 31, 1468.
-
(1992)
Angew. Chem., Int. Ed. Engl.
, vol.31
, pp. 1468
-
-
Karfunkel, H.R.1
Hirsch, A.2
-
51
-
-
0001109973
-
-
Cf. for example: (a) Baker, J.; Fowler, P. W.; Lazzaretti, P.; Malagoli, M.; Zanasi, R. Chem. Phys. Lett. 1991, 184, 182. (b) Matzusawa, N.; Dixon, D. A. J. Phys. Chem. 1992, 96, 6241. For an experimental structure, see: Nikolaev, A. V.; Dennis, T. J. S.; Prassides, K.; Soper, A. K. Chem. Phys. Lett. 1994, 223, 143.
-
(1991)
Chem. Phys. Lett.
, vol.184
, pp. 182
-
-
Baker, J.1
Fowler, P.W.2
Lazzaretti, P.3
Malagoli, M.4
Zanasi, R.5
-
52
-
-
33751391412
-
-
Cf. for example: (a) Baker, J.; Fowler, P. W.; Lazzaretti, P.; Malagoli, M.; Zanasi, R. Chem. Phys. Lett. 1991, 184, 182. (b) Matzusawa, N.; Dixon, D. A. J. Phys. Chem. 1992, 96, 6241. For an experimental structure, see: Nikolaev, A. V.; Dennis, T. J. S.; Prassides, K.; Soper, A. K. Chem. Phys. Lett. 1994, 223, 143.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 6241
-
-
Matzusawa, N.1
Dixon, D.A.2
-
53
-
-
0001671134
-
-
Cf. for example: (a) Baker, J.; Fowler, P. W.; Lazzaretti, P.; Malagoli, M.; Zanasi, R. Chem. Phys. Lett. 1991, 184, 182. (b) Matzusawa, N.; Dixon, D. A. J. Phys. Chem. 1992, 96, 6241. For an experimental structure, see: Nikolaev, A. V.; Dennis, T. J. S.; Prassides, K.; Soper, A. K. Chem. Phys. Lett. 1994, 223, 143.
-
(1994)
Chem. Phys. Lett.
, vol.223
, pp. 143
-
-
Nikolaev, A.V.1
Dennis, T.J.S.2
Prassides, K.3
Soper, A.K.4
-
57
-
-
33748215960
-
-
See for example: (a) Zheludev, A.; Grand, A.; Ressouche, E.; Schweizer, J.; Morin, B. G.; Epstein, A. J.; Dixon, D. A.; Miller, J. S. Angew. Chem., Int. Ed. Engl. 1994, 33, 1397; J. Am. Chem. Soc. 1994, 116, 7243. (b) Lim, M. H.; Worthington, S. E.; Dulles, F. J.; Cramer, C. J. In Density-Functional Methods in Chemistry; ACS Symposium Series; Laird, B. B., Ziegler, T., Ross, R., Eds., in press.
-
(1994)
Angew. Chem., Int. Ed. Engl.
, vol.33
, pp. 1397
-
-
Zheludev, A.1
Grand, A.2
Ressouche, E.3
Schweizer, J.4
Morin, B.G.5
Epstein, A.J.6
Dixon, D.A.7
Miller, J.S.8
-
58
-
-
0028493507
-
-
See for example: (a) Zheludev, A.; Grand, A.; Ressouche, E.; Schweizer, J.; Morin, B. G.; Epstein, A. J.; Dixon, D. A.; Miller, J. S. Angew. Chem., Int. Ed. Engl. 1994, 33, 1397; J. Am. Chem. Soc. 1994, 116, 7243. (b) Lim, M. H.; Worthington, S. E.; Dulles, F. J.; Cramer, C. J. In Density-Functional Methods in Chemistry; ACS Symposium Series; Laird, B. B., Ziegler, T., Ross, R., Eds., in press.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 7243
-
-
-
59
-
-
33748215960
-
-
ACS Symposium Series; Laird, B. B., Ziegler, T., Ross, R., Eds., in press
-
See for example: (a) Zheludev, A.; Grand, A.; Ressouche, E.; Schweizer, J.; Morin, B. G.; Epstein, A. J.; Dixon, D. A.; Miller, J. S. Angew. Chem., Int. Ed. Engl. 1994, 33, 1397; J. Am. Chem. Soc. 1994, 116, 7243. (b) Lim, M. H.; Worthington, S. E.; Dulles, F. J.; Cramer, C. J. In Density-Functional Methods in Chemistry; ACS Symposium Series; Laird, B. B., Ziegler, T., Ross, R., Eds., in press.
-
Density-Functional Methods in Chemistry
-
-
Lim, M.H.1
Worthington, S.E.2
Dulles, F.J.3
Cramer, C.J.4
-
60
-
-
0003596638
-
-
Jet Propulsion Laboratory, California Institute of Technology: Pasadena, CA
-
De More, W. B.; Sander, S. P.; Golden, D. M.; Hampson, R. F.; Kurylo, M. J.; Howard, A. R.; Ravishankara, A. R.; Kolb, C. E.; Molina, M. J. Chemical Kinetics and Photochemical Data for Use in Stratospheric Modeling. Evaluation No. 11; Jet Propulsion Laboratory, California Institute of Technology: Pasadena, CA, 1994; p 194.
-
(1994)
Chemical Kinetics and Photochemical Data for Use in Stratospheric Modeling. Evaluation No. 11
, pp. 194
-
-
De More, W.B.1
Sander, S.P.2
Golden, D.M.3
Hampson, R.F.4
Kurylo, M.J.5
Howard, A.R.6
Ravishankara, A.R.7
Kolb, C.E.8
Molina, M.J.9
-
61
-
-
58149363951
-
-
Dixon, D. A.; Smart, B. E.; Krusic, P. J.; Matsuzawa, N. J. Fluorine Chem. 1995, 73, 209.
-
(1995)
J. Fluorine Chem.
, vol.73
, pp. 209
-
-
Dixon, D.A.1
Smart, B.E.2
Krusic, P.J.3
Matsuzawa, N.4
-
62
-
-
0001291414
-
-
Krusic, P. J.; Wasserman, E.; Keizer, P. N.; Morton, J. R.; Preston, K. F. Science 1991, 254, 1184.
-
(1991)
Science
, vol.254
, pp. 1184
-
-
Krusic, P.J.1
Wasserman, E.2
Keizer, P.N.3
Morton, J.R.4
Preston, K.F.5
-
63
-
-
0346642111
-
-
(a) Boxwell, M. A.; Claxton, T. A.; Cox, S. F. J. J. Chem. Soc., Faraday Trans. 1993, 89, 2957.
-
(1993)
J. Chem. Soc., Faraday Trans.
, vol.89
, pp. 2957
-
-
Boxwell, M.A.1
Claxton, T.A.2
Cox, S.F.J.3
-
64
-
-
0001630141
-
-
(b) Morton, J. R.; Negri, F.; Preston, K. F. Phys. Rev. B 1994, 49, 12446.
-
(1994)
Phys. Rev. B
, vol.49
, pp. 12446
-
-
Morton, J.R.1
Negri, F.2
Preston, K.F.3
-
66
-
-
0000897614
-
-
See for example: Krusic, P. J.; Meakin, P.; Jesson, J. P. J. Phys. Chem. 1971, 75, 3438.
-
(1971)
J. Phys. Chem.
, vol.75
, pp. 3438
-
-
Krusic, P.J.1
Meakin, P.2
Jesson, J.P.3
-
68
-
-
0011490660
-
-
Morton, J. R.; Preston, K. F.; Krusic, P. J.; Knight, L. B., Jr. Chem. Phys. Lett. 1993, 204, 481.
-
(1993)
Chem. Phys. Lett.
, vol.204
, pp. 481
-
-
Morton, J.R.1
Preston, K.F.2
Krusic, P.J.3
Knight Jr., L.B.4
-
69
-
-
37049084990
-
-
13C resonance for the least pyramidal E carbon (108.93°) appears as an isolated peak (130.28 ppm) quite upfield relative to the other four A-D signals, all grouped together with similar shifts at much lower field. Within this latter group D is slightly upfield (144.77 ppm) relative to the other three A-C lines (146.82-150.07 ppm) due to the intermediate value for the pyramidalization angle (110.45°). See: Taylor, R.; Hare, J. P.; Abdul-Sada, A. K.; Kroto, H. K. J. Chem. Soc., Chem. Commun. 1990, 1423.
-
(1990)
J. Chem. Soc., Chem. Commun.
, pp. 1423
-
-
Taylor, R.1
Hare, J.P.2
Abdul-Sada, A.K.3
Kroto, H.K.4
-
72
-
-
0000888487
-
-
Griller, D.; Marriott, P. R.; Nonhebel, D. C., Perkins, M. J.; Wong, P. C. J. Am. Chem. Sco. 1981, 103, 7761.
-
(1981)
J. Am. Chem. Sco.
, vol.103
, pp. 7761
-
-
Griller, D.1
Marriott, P.R.2
Nonhebel, D.C.3
Perkins, M.J.4
Wong, P.C.5
-
73
-
-
9444276625
-
-
Griller, D.; Dimroth, K.; Fyles, T. M.; Ingold, K. U. J. Am. Chem. Soc. 1975,97, 5526.
-
(1975)
J. Am. Chem. Soc.
, vol.97
, pp. 5526
-
-
Griller, D.1
Dimroth, K.2
Fyles, T.M.3
Ingold, K.U.4
-
74
-
-
33748734348
-
-
See for example: (a) Kryger, R. G.; Lorand, J. P.; Stevens, N. R.; Herron, N. R. J. Am. Chem. Soc. 1977, 99, 7589. (b) Avila, D. V.; Ingold, K. U.; Lusztyk, J.; Dolbier, W. R., Jr.; Pan, H.-Q.; Muir, M. J. Am. Chem. Soc. 1994, 116, 99. (c) Birchall, J. M.; Irvin, G. P.; Boyson, R. A. J. Chem. Soc., Perkin Trans. 2 1975, 435.
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 7589
-
-
Kryger, R.G.1
Lorand, J.P.2
Stevens, N.R.3
Herron, N.R.4
-
75
-
-
0028224332
-
-
See for example: (a) Kryger, R. G.; Lorand, J. P.; Stevens, N. R.; Herron, N. R. J. Am. Chem. Soc. 1977, 99, 7589. (b) Avila, D. V.; Ingold, K. U.; Lusztyk, J.; Dolbier, W. R., Jr.; Pan, H.-Q.; Muir, M. J. Am. Chem. Soc. 1994, 116, 99. (c) Birchall, J. M.; Irvin, G. P.; Boyson, R. A. J. Chem. Soc., Perkin Trans. 2 1975, 435.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 99
-
-
Avila, D.V.1
Ingold, K.U.2
Lusztyk, J.3
Dolbier Jr., W.R.4
Pan, H.-Q.5
Muir, M.6
-
76
-
-
33044502306
-
-
See for example: (a) Kryger, R. G.; Lorand, J. P.; Stevens, N. R.; Herron, N. R. J. Am. Chem. Soc. 1977, 99, 7589. (b) Avila, D. V.; Ingold, K. U.; Lusztyk, J.; Dolbier, W. R., Jr.; Pan, H.-Q.; Muir, M. J. Am. Chem. Soc. 1994, 116, 99. (c) Birchall, J. M.; Irvin, G. P.; Boyson, R. A. J. Chem. Soc., Perkin Trans. 2 1975, 435.
-
(1975)
J. Chem. Soc., Perkin Trans. 2
, pp. 435
-
-
Birchall, J.M.1
Irvin, G.P.2
Boyson, R.A.3
|