-
6
-
-
0003632774
-
-
See for example,. Chapter 1., D. Reidel Publishing Company, Dordrecht
-
See for example,. Naray-Szabó G., Surjan P.R., and Anguyan J.G. Applied Quantum Chemistry. Chapter 1. (1979), D. Reidel Publishing Company, Dordrecht
-
(1979)
Applied Quantum Chemistry
-
-
Naray-Szabó, G.1
Surjan, P.R.2
Anguyan, J.G.3
-
16
-
-
0026481036
-
-
Tielemans M., Areschka V., Colomer J., Promel R., Langenaeker W., and Geerlings P. Tetrahedron 48 (1992) 10575
-
(1992)
Tetrahedron
, vol.48
, pp. 10575
-
-
Tielemans, M.1
Areschka, V.2
Colomer, J.3
Promel, R.4
Langenaeker, W.5
Geerlings, P.6
-
17
-
-
84873055189
-
-
For a comprehensive account of wave functional techniques see, J. Wiley, New York
-
For a comprehensive account of wave functional techniques see. Hehre W.J., Radom L., von R. Schleyer P., and Pople J. Ab initio Molecular Orbital Theory (1986), J. Wiley, New York
-
(1986)
Ab initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
von R. Schleyer, P.3
Pople, J.4
-
19
-
-
0003569570
-
-
For an authoritative review on concepts and applications see, Oxford University Press, New York
-
For an authoritative review on concepts and applications see. Parr R.G., and Yang W. Density Functional Theory of Atoms and Molecules (1989), Oxford University Press, New York
-
(1989)
Density Functional Theory of Atoms and Molecules
-
-
Parr, R.G.1
Yang, W.2
-
20
-
-
0000779913
-
Electronegativity
-
For recent review see. Sen K.D., and Jørgensen C.J. (Eds), Springer, Berlin, Heidelberg
-
For recent review see. Electronegativity. In: Sen K.D., and Jørgensen C.J. (Eds). Structure and Bonding 66 (1987), Springer, Berlin, Heidelberg
-
(1987)
Structure and Bonding
, vol.66
-
-
-
21
-
-
0002140356
-
Chemical Hardness
-
For recent review see. Sen K.D. (Ed), Springer, Berlin, Heidelberg
-
For recent review see. Chemical Hardness. In: Sen K.D. (Ed). Structure and Bonding 80 (1993), Springer, Berlin, Heidelberg
-
(1993)
Structure and Bonding
, vol.80
-
-
-
23
-
-
0004219668
-
-
For an authoritative review on the HSAB principle, see, Harper and Row, Third Edition, Chapter 7
-
For an authoritative review on the HSAB principle, see E. Huheey, Inorganic Chemistry, Harper and Row, Third Edition, Chapter 7.
-
Inorganic Chemistry
-
-
Huheey, E.1
-
38
-
-
77956682757
-
-
Lipkowitz K.B., and Boyd D.B. (Eds), VCH, New York
-
Bachrach S.M. In: Lipkowitz K.B., and Boyd D.B. (Eds) (1995), VCH, New York
-
(1995)
-
-
Bachrach, S.M.1
-
44
-
-
0141689649
-
-
For a review on the Electronic Structure of (among others metastable) anions see
-
For a review on the Electronic Structure of (among others metastable) anions see. Simons J., and Jordan K.D. Chem. Rev. 87 (1987) 535
-
(1987)
Chem. Rev.
, vol.87
, pp. 535
-
-
Simons, J.1
Jordan, K.D.2
-
49
-
-
0007073833
-
-
CRAY-YMP version running UNICOS, Department of Chemistry, North Dakota State University and Ames Laboratory, Iowa State University
-
CRAY-YMP version running UNICOS. GAMESS, General Atomic and Molecular Electronic Structure System (1991), Department of Chemistry, North Dakota State University and Ames Laboratory, Iowa State University
-
(1991)
GAMESS, General Atomic and Molecular Electronic Structure System
-
-
-
50
-
-
0004133516
-
-
Revision B3, Gaussian Inc., Pittsburgh PA
-
Revision B3. Frisch M.J., Trucks G.W., Schlegel H.B., Gill P.M.W., Johnson B.G., Robb M.A., Cheeseman J.R., Keith T., Petersson G.A., Montgomery J.A., Raghavachari K., Al-Laham M.A., Zakrzewski V.G., Ortiz J.V., Foresman J.V., Peng C.Y., Ayala P.Y., Chen W., Wong M.W., Andres J.L., Repogle E.S., Gomperts R., Martin R.L., Fox D.J., Binkley J.S., Defrees D.J., Baker J., Stewart J.J.P., Head-Gordon M., Gonzalez C., and Pople J.A. GAUSSIAN 94 (1995), Gaussian Inc., Pittsburgh PA
-
(1995)
GAUSSIAN 94
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.V.15
Peng, C.Y.16
Ayala, P.Y.17
Chen, W.18
Wong, M.W.19
Andres, J.L.20
Repogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binkley, J.S.25
Defrees, D.J.26
Baker, J.27
Stewart, J.J.P.28
Head-Gordon, M.29
Gonzalez, C.30
Pople, J.A.31
more..
-
51
-
-
77956659717
-
-
Cray Research Inc., Eagon, MN
-
UniChem (1994), Cray Research Inc., Eagon, MN
-
(1994)
UniChem
-
-
-
63
-
-
0003663062
-
-
For a detailed account see, M. Springborg Editor, John Wiley, in press
-
For a detailed account see P. Geerlings, F. De Proft and W. Langenaeker in "Density Functional Methods" : "Applications in Chemistry and Material Science", M. Springborg Editor, John Wiley, in press.
-
Density Functional Methods
-
-
Geerlings, P.1
De Proft, F.2
Langenaeker, W.3
-
71
-
-
0001229230
-
-
Jinfeng C., Topsom R.D., Healy A.D., Koppel I., Mishima M., Taft R.W., and Veji S. J. Mol. Struct. (THEOCHEM) 168 (1988) 141
-
(1988)
J. Mol. Struct. (THEOCHEM)
, vol.168
, pp. 141
-
-
Jinfeng, C.1
Topsom, R.D.2
Healy, A.D.3
Koppel, I.4
Mishima, M.5
Taft, R.W.6
Veji, S.7
-
79
-
-
77956684856
-
-
Lias S.G., Bartmess J.E., Liebman J.F., Holmes J.L., Levin R.D., and Mallard W.G. J. Phys. Chem. Ref. Data 17 Suppl. 1 (1988)
-
(1988)
J. Phys. Chem. Ref. Data
, vol.17
, Issue.SUPPL. 1
-
-
Lias, S.G.1
Bartmess, J.E.2
Liebman, J.F.3
Holmes, J.L.4
Levin, R.D.5
Mallard, W.G.6
-
81
-
-
37049089816
-
-
Vanermen G., Toppet S., Van Beylen M., and Geerlings P. J. Chem. Soc., Perkin Trans. II (1986) 699
-
(1986)
J. Chem. Soc., Perkin Trans. II
, pp. 699
-
-
Vanermen, G.1
Toppet, S.2
Van Beylen, M.3
Geerlings, P.4
-
85
-
-
1542743726
-
-
Kroto H.W. Nature 318 (1985) 162
-
(1985)
Nature
, vol.318
, pp. 162
-
-
Kroto, H.W.1
-
87
-
-
0003841231
-
-
For reviews on theoretical and experimental (reactivity orientated) studies see, Oxford University Press, Oxford
-
For reviews on theoretical and experimental (reactivity orientated) studies see. Cioslowski J. Electronic Structure Calculations on Fullerenes and their Derivatives (1995), Oxford University Press, Oxford
-
(1995)
Electronic Structure Calculations on Fullerenes and their Derivatives
-
-
Cioslowski, J.1
-
88
-
-
0004258670
-
-
Organic Chemistry Monograph Series, Georg Thieme Verlag, Stuttgart
-
Organic Chemistry Monograph Series. Hirsch A. The Chemistry of the Fullerenes (1993), Georg Thieme Verlag, Stuttgart
-
(1993)
The Chemistry of the Fullerenes
-
-
Hirsch, A.1
-
89
-
-
33749096786
-
-
Int. Ed. Engl.
-
Hirsch A. Angew. Chem. 32 (1993) 1138 Int. Ed. Engl.
-
(1993)
Angew. Chem.
, vol.32
, pp. 1138
-
-
Hirsch, A.1
-
93
-
-
77956655599
-
-
accepted for publication, in press
-
K. Choho, G. Van Lier, G. Van de Woude and P. Geerlings, J. Chem. Soc., Perkin Transactions II, accepted for publication, in press.
-
J. Chem. Soc., Perkin Transactions II
-
-
Choho, K.1
Van Lier, G.2
Van de Woude, G.3
Geerlings, P.4
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