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Publications (pre 1993):
1. K. D. Jordan and R. Silbey, "Comments on the Use of UHF Theory in Orbital Energy Crossing,"
Chem. Phys. Letters, 18, 27-30 (1973).
2. K. D. Jordan, "Use of UHF Wavefunctions in RPA Calculations," Inter. J. Quant. Chem. Symp., 7, 491-505 (1973).
3. K. D. Jordan, J. L. Kinsey and R. Silbey, "Use of Padé Approximants in the
Construction of Diabatic Potential Energy Curves for Ionic Molecules,"
J. Chem. Phys., 61, 911-917 (1974).
4. J. Dancz and K. D. Jordan, "Multiple Projections of Unrestricted Hartree-Fock Solutions in
Acetylene," J. Chem. Phys., 61, 2977-78 (1974).
5. K. D. Jordan, "Continued Fraction Representations of the Dipole Moment Function
and the Electronic Transition Moment Function of Diatomic Molecules," Chem. Phys. Letters, 33, 340-343 (1975).
6. K. D. Jordan, "Padé Approximants: An Alternative Analytic Representation of the Potential
Curves of Diatomic Molecules," J. Mol. Spectry., 56, 329-331 (1975).
7. K. D. Jordan, "Construction of Potential Energy Curves in Avoided Crossing
Situations," Chem. Phys., 9, 199-204 (1975).
8. A. Gelb, K. D. Jordan, and R. Silbey, "The Electronic Structure of Small Clusters of Sodium,"
Chem. Phys., 9, 175-182 (1975).
9. K. D. Jordan, "Inclusion of Doubly Excited Configurations in Electron Propagators,"
Chem. Phys. Letters, 36, 264-270 (1975).
10. K. M. Griffing, J. Kenney, J. Simons, and K. D. Jordan, "Theoretical Predictions
of Stable
Negative Ions: HF-, LiH-, NaH-," J.
Chem. Phys., 63, 4073-4075 (1975).
11. K. D. Jordan, "Applications of Analytic Continuation in the Construction of Pote
ntial Energy Curves,"
Inter. J. Quant. Chem. Symp., 9, 325-336 (1975).
12. P. D. Burrow and K. D. Jordan, "On the Electron Affinities of Ethylene and 1,3-B
utadiene,"
Chem. Phys. Letters, 36, 594-598 (1975).
13. T. T. Chen, J. Simons, and K. D. Jordan, "Equation-of-Motion Theory of Electron Affinities and
Ionization Potentials," Chem. Phys., 14, 145-158 (1976).
14. K. D. Jordan and W. Luken, "Theoretical Study of the Binding of an Electron to a Molecular Dipole:
LiCl-," J. Chem. Phys., 64, 2760-2766 (1976).
15. K. D. Jordan, J. A. Michejda, and P. D. Burrow, "The Relative Stability of Alkyl Substituted Benzene
Anions in the Gas Phase," J. Am. Chem. Soc., 98, 1295-1296 (1976).
16. K. D. Jordan, K. M. Griffing, J. Kenney, E. L. Andersen, and J. Simons, "Theoretical Study of Stable
Negative Ions of Polar Molecules: NaH-, LiH-, LiF-, and
BeO-," J. Chem. Phys., 64, 4730-4740 (1976).
17. K. D. Jordan, "On the Structure of the LiH Dimer and Its Negative Ion," Chem. Phys. Letters, 40,
441-446 (1976).
18. K. D. Jordan, J. A. Michejda, and P. D. Burrow, "Electron Transmission Studies of the Negative Ion
States of Substituted Benzenes in the Gas Phase," J. Am. Chem. Soc., 98, 7189-7191 (1976).
19. K. D. Jordan, "Correlation Between Molecular Electron Affinities and Dipole Moments,"
J. Chem. Phys., 65, 1214-1215 (1976).
20. K. D. Jordan and J. Simons, "Theoretical Studies of Molecular Ions: Be2-,"
J. Chem. Phys., 65, 1601-1602 (1976).
21. K. D. Jordan, J. A. Michejda, and P. D. Burrow, "A Study of the Negative Ion States of Selected
Cyclodienes by Electron Transmission Spectroscopy," Chem. Phys. Letters, 42, 227-231 (1976).
22. P. D. Burrow, J. A. Michejda, and K. D. Jordan, "Experimental Studies of the Negative Ion
States of Styrene - A Test of the Pairing Theorem," J. Am. Chem. Soc., 98, 6392-6393 (1976).
23. D. A. Dixon, J. L. Gole, and K. D. Jordan, "Ab Initio Study of the Electronic Structure of
Li2-," J. Chem. Phys., 66, 567-572 (1977).
24. K. D. Jordan, "Correlation Between Molecular Electron Affinities and Dipole Moments II,"
J. Chem. Phys., 66, 3305-3306 (1977).
25. K. D. Jordan and J. Wendoloski, "On the Existence of Negative Ion States of Nonionic
Polar
Molecules," Chem. Phys., 21, 145-154 (1977).
26. K. D. Jordan and J. Simons, "Electronic Structure of Small Metal Clusters I:
Anions of Be2, Be3, and Be4," J. Chem. Phys., 67, 4027-4037 (1977).
27. K. D. Jordan and J. Wendoloski, "Studies of the Negative Ion States of Polar Molecules:
LiH-, NaH-, and NaCl-," Mol. Phys., 35, 223-240 (1978).
28. K. D. Jordan and R. Seeger, "Ab Initio Study of the Ground State Anions of LiF, NaF, BeO, and MgO,"
Chem. Phys. Letters, 54, 320-326 (1978).
29. K. D. Jordan and P. D. Burrow, "Studies of the Temporary Anion States of Unsaturated Hydrocarbons by Electron
Transmission Spectroscopy", Accounts of Chem. Research, 11, 341-348 (1978).
30. R. Shepard, K. D. Jordan, and J. Simons, "Electronic Structure of Small Metal Clusters II:
Anions of Li2, LiNa, and Na2", J.
Chem. Phys., 69, 1788-1789 (1978).
31. H. A. Kurtz and K. D. Jordan, "Ab Initio Calculation of the Positron Affinity of LiH",
J. Phys. B., 11, L479-482 (1978).
32. H. A. Kurtz and K. D. Jordan, "Theoretical Study of [F-; e+] and [CN-; e+],"
Inter. J. of Quant. Chem., 14, 747-754 (1978).
33. B. A. B. Seiders, W. L. Luken, and K. D. Jordan, "Binding of an Electron to a Molecular Dipole:
BeF2-", Inter. J. of Quant. Chem., 14, 741-746 (1978).
34. K. D. Jordan, "Negative Ion States of Polar Molecules," Accounts of Chemical Research, 12, 36-42 (1979).
35. R. P. Blickensderfer and K. D. Jordan, "Theoretical Study of the Electronic Structure of LiOH-
and Li2O-, Chem. Phys., 41, 193-199 (1979).
36. K. D. Jordan, "Structure of Alkali Halides: Theoretical Methods," in "The Chemistry of Alkali Halides",
(editors P. Davidovits and D. L. McFadden), Academic Press, pp 479-534 (1979).
37. B. A. B. Seiders, W. L. Luken, R. P. Blickensderfer, and K. D. Jordan,
"Theoretical Study of the Anions of BeF2 and MgF2", Chem. Phys., 39, 285-292 (1979).
38. A. R. Rossi and K. D. Jordan, "Comment on the Structure and Stability of (CO2)2-,
J. Chem. Phys., 70, 4422-4424 (1979).
39. K. D. Jordan and J. F. Liebman, "Binding of an Electron to a Molecular Quadrupole:
(BeO)2-", Chem. Phys. Letters, 62, 143-147 (1979).
40. K. D. Jordan and P. D. Burrow, "Comment on the Negative Ion States of Fluorobenzenes",
J. Chem. Phys., 71, 5384-5385 (1979).
41. H. A. Kurtz and K. D. Jordan, "A Comparison of the Positron Energy Levels of
[F-;e+] and [CN-;e+] with the Rydberg Levels of Na and NO",
J. Phys. B., 12, L473-477 (1979).
42. N. S. Chiu, P. D. Burrow, and K. D. Jordan, "Temporary Anions of The Fluoroethylenes",
Chem. Phys. Letters, 68, 121-126 (1979).
43. K. D. Jordan and P. D. Burrow, "On the Relationship Between the Gas Phase, Condensed Phase, and
Theoretical Spectra of Alternant Hydrocarbon Anions",
Chem. Phys., 45, 171-182 (1980).
44. H. A. Kurtz and K. D. Jordan, "Theoretical Studies of Positron Complexes with Atomic Anions,"
J. Chem. Phys., 72, 493-503 (1980).
45. K. D. Jordan and J. Simons, "Comment on the Electronic Structure of Be4 and Mg4 and Their Anions",
J. Chem. Phys., 72, 2889-2890 (1980).
46. R. N. Compton, Y. Yoshioka, and K. D. Jordan, "Comment on
Semi-empirical Calculations of
p Electron Affinities",
Theor. Chim. Acta., 54, 259-260 (1980).
47. H. A. Kurtz and K. D. Jordan, "Comment on the Electronic Structure
of HAlOH and AlÚOH2",
J. Am. Chem. Soc., 102, 1177-1178 (1980).
48. Y. Yoshioka and K. D. Jordan, "Ab Initio Study of (NO2)2+
and (CO2)2-" J. Am. Chem. Soc., 102, 2621-2626 (1980).
49. K. D. Jordan, "Comment on Ab Initio Ground State Energy Surfaces for Anions of Polar Molecules",
Chem. Phys. Letters, 69, 611-613 (1980).
50. K. D. Jordan and P. D. Burrow, "Temporary Negative Ions of Methyl-substituted Ethylenes",
J. Am. Chem. Soc., 102, 6882-6883 (1980).
51. Y. Yoshioka and K. D. Jordan, "Many-body Perturbation Theoretical Studies of the Dipole Moments,
Polarizabilities and Electron Affinities of LiF and BeO",
J. Chem. Phys., 73, 5899-5901 (1980).
52. K. D. Jordan and P. D. Burrow, "Resonant Electron Scattering and Anion States in Polyatomic Molecules",
ACS Symposium Series 162, 1-10 (1981).
53. Y. Yoshioka and K. D. Jordan, "Polarizabilities, Dipole Moments and Electron Affinities of LiF and BeO",
Chem. Phys., 56, 303-320 (1981).
54. H. A. Kurtz and K. D. Jordan, "Theoretical Study of Positron-Molecule Complexes",
J. Chem. Phys., 75, 1876-1887 (1981).
55. Y. Yoshioka and K. D. Jordan, "Stabilities and Structures of LiCO2 and NaCO2 Complexes",
Chem. Phys. Letters, 84, 370-374 (1981).
56. H. A. Kurtz and K. D. Jordan, "Properties of the X1
S+
State of BF", Chem. Phys. Letters, 81, 104-109 (1981).
57. H. A. Kurtz and K. D. Jordan, "Theoretical Study of Low-energy Electron and Positron Scattering on Be, Mg, and Ca",
J. Phys. B., 14, 4361-4376 (1981).
58. Y. Yoshioka, H. F. Schaefer III, and K. D. Jordan, "Theoretical Investigation of the Electron Affinity of CO2",
J. Chem. Phys., 75, 1040-1041 (1981).
59. R. A. Chiles, C. E. Dykstra, and K. D. Jordan, "Bonding in the Mg4 Cluster: An Example of
Chemical Bonding Originating from Electron Correlation Effects".
J. Chem. Phys., 75, 1044-1046 (1981).
60. P. D. Burrow, A. Modelli, N. S. Chiu, and K. D. Jordan, "
Temporary S and P
Anions of the Chloroethylenes and Chloro-fluoroethylenes",
Chem. Phys. Letters, 82, 270-276 (1981).
61. K. D. Jordan, "Recent Developments in Electron-Molecule Scattering", Int.
J. of Quantum Chemistry, Symp. 15, 331-340 (1981).
62. K. D. Jordan and H. A. Kurtz, "Theory of Metal Atom-Water Interactions and Alkali Halide Dimers", pp. 379-393,
ACS Symposium Series, No. 179 "Metal Bonding and Interactions in High Temperature Systems", (1982).
63. P. D. Burrow, A. J. Ashe, III, D. Bellville and K. D. Jordan, "Temporary Anion States of
Phosphabenzene, Arsabenzene, and Stibabenzene. Trends in the
p and
p* Orbital Energies",
J. Am. Chem. Soc., 104, 425-429 (1982).
64. M. Paddon-Row, N. G. Rondan, K. N. Houk and K. D. Jordan, "Geometries of the Anions of Ethylene,
Fluoroethylene, 1,1-Difluoroethylene, and Tetrafluoroethylene", J. Am. Chem. Soc., 104, 1143-1145 (1982).
65. P. D. Burrow, A. Modelli, N. S. Chiu, and K. D. Jordan, "Temporary Negative Ions in the
Chloromethanes, CHCl2F, and CCl2F2: Characterization of the
s* Orbitals",
J. Chem. Phys., 77, 2699-2700 (1982).
66. S. Sakai and K. D. Jordan, "Ab Initio Study of the Structure and Vibrational
Frequencies of the Grignard Reagent CH3MgCl",
J. Am. Chem. Soc., 104, 4019-4021 (1982).
67. P. D. Burrow and K. D. Jordan, "Electron Transmission Spectroscopy of 1,3,5-Hexatriene:
Isomeric Differences in
p* Orbital Energies",
J. Am. Chem. Soc., 104, 5247-5248 (1982).
68. R. P. Blickensderfer and K. D. Jordan, N. Adams and W. H. Breckenridge, "
Complexes of Be(2s2p 3P, 1P) and Mg(3s3p 3P, 1P) with H2:
Implications for the Mg(1P) + H2
® MgH(X2
S) + H(12S) Reaction",
J. Phys. Chem., 86, 1930-1932 (1982).
69. K. D. Jordan and J. Simons, "On the Lowest Sigma and Pi Anion States of Be2 and Be3",
J. Chem. Phys., 77, 5250-5252 (1982).
70. L. Ng, K. D. Jordan, A. Krebs, and W. Ruger, "Electron Transmission Study of the Splitting of the
p* MO's of Angle-Strained Cyclic Acetylenes: Implications for the Electrophilicity of Alkynes",
J. Am. Chem. Soc., 104, 7414-7416 (1982).
71. V. Balaji, K. D. Jordan, P. D. Burrow, M. N. Paddon-Row and H. K. Patney, "Experimental Observation of Large Interactions of
p* Orbitals through Four Bonds", J. Am. Chem. Soc., 104, 6849-6851 (1982).
72. K. K. Sunil, J. Lin, K. D. Jordan, H. R. Siddiqui, P. E. Siska, and R. Shepard, "Theoretical Study of the a3
Su+, A1
Su+, c3
Sg+, and C1
Sg+
Potential Energy Curves of He2 and of He*(21S, 23S) + He Differential Scattering"
J. Chem. Phys., 78, 6190-6202 (1983).
73. K. N. Houk, N. G. Rondan, M. N. Paddon-Row, C. W. Jefford, P. T. Huy, P. D. Burrow, and K. D. Jordan, "Ionization
Potentials, Electron Affinities, and Molecular Orbitals of 2-Substituted Norbornadienes. Theory of 1,2 and Homo-1,4
Carbene Cycloaddition Selectivities",
J. Am. Chem. Soc., 105, 5563-4471 (1983).
74. R. P. Blickensderfer, K. K. Sunil, and K. D. Jordan, "On the Attractive Nature of the Ar*(3P) + H2
Interactions and the Ar(3P0,2) + H2
® Ar(1S) + H2
® Ar(1S) + H + H Reaction",
J. Phys. Chem., 87, 1488-1490 (1983).
75. S. Sakai and K. D. Jordan, "Comment on the B(2P) + H2O
® BO(X2
S, A2
P) + H2(X1
Sg+) Reactions",
J. Phys. Chem., 87, 2293-2295 (1983).
76. L. Ng, V. Balaji, and K. D. Jordan, "Measurement of the Vertical Electron Affinities of Cyanogen and 2,4-Hexadiyne",
Chem. Phys. Letters, 101, 171-176 (1983).
77. N. L. Allinger, T. W. Collette, L. A. Carreira, H. D. Davis, V. Balaji and K. D. Jordan, "On the
Conformation of 1,4-Cyclohexanedione", Spectroscopy, 2, 366-380 (1983).
78. K. D. Jordan, "Theoretical Investigation of Lithium and Sodium Complexes with CO2",
J. Phys. Chem., 88, 2459-2465 (1984).
79. K. K. Sunil and K. D. Jordan, "Theoretical Study of the X2
Su+ and A2
Sg+ States of Li2- and Na2-",
Chem. Phys. Letters, 104, 343-347 (1984).
80. K. K. Sunil, A. Orendt, K. D. Jordan and D. Defreese, "Theoretical Study of the Vertical Electron Affinity and
Ionization Potentials of C3", Chem. Phys., 89, 245-256 (1984).
81. "K. D. Jordan and P. D. Burrow. "Temporary Negative Ion States of Hydrocarbons and their Derivatives",
ACS Symposium Series, 263, 165-182 (1984).
82. K. K. Sunil, K. D. Jordan, and R. Shepard, "MCSCF Study of the
p®p* Excited States of Ethylene", Chem. Phys., 88, 55-64 (1984).
83. A. R. Gregory, K. K. Sunil, and K. D. Jordan, "Theoretical Study of the 12A"(X2
P) State of N2O+: Implications for Isotopic Scrambling",
Chem. Phys. Letters, 108, 439-442 (1984).
84. K. K. Sunil, K. D. Jordan, and K. Raghavachari, "On the Importance of f Functions and 3d
Electron Correlation Effects in the Bonding in Cu2,"
J. Phys. Chem., 89, 457-459 (1985).
85. K. K. Sunil and K. D. Jordan, "Theoretical Investigation of the Low-Lying Electronic States of Cu, Zn and Their Ions",
J. Chem. Phys., 82, 873-880 (1985).
86. K. D. Jordan, "Theoretical Studies of the Reactions of Atoms with Small Molecules", in Gas Phase
Chemiluminescence and Chemi-ionization, ed. A. Fontijn, Elsevier Science Publishers, p. 239 (1985).
87. K. N. Houk, L. T. Scott, N. G. Rondan, D. C. Spellmeyer,
G. Reinhardt, J. L. Hyun, G. J. DeCicco, R. Weiss, M. H. M. Chen, L. S. Bass, J. Clary,
F. S. Jorgensen, T. A. Eaton, V. Sarkozi, C. M. Petit, L. Ng and K. D. Jordan, "Pericyclynes" "Exploded Cycloalkanes" with
Unusual Orbital Interactions and Conformational Properties. MM2 and STO-3G Calculations,
X-Ray Crystal Structures, Photoelectron Spectra and Electron Transmission Spectra", J. Am. Chem. Soc., 107, 6556-6562 (1985).
88. V. Balaji and K. D. Jordan, "Electron Transmission Spectroscopy of Triptycene: An
Investigation of the Intramolecular Orbital Interactions". Chem. Phys. Letters, 119, 294-297 (1985).
89. K. Raghavachari, K. K. Sunil, and K. D. Jordan, "Theoretical Study of the Bonding in Cu2 and CuH",
J. Chem. Phys., 83, 4633-4640 (1985).
90. P. D. Burrow, A. Modelli, M. Guerra, and K. D. Jordan, "Electron Transmission Spectroscopy of
Dibenzenechromium: Characterization of the Unfilled Molecular Orbitals and Evidence for d
®d Transitions",
Chem. Phys. Letters, 118, 328-333 (1985).
91. V. Balaji, K. D. Jordan, R. Gleiter, G. Jähne, and G. Müller, "Through-Bond Interactions in
Non-Conjugated Dienes and Diones"
J. Am. Chem. Soc., 107, 7321-7323 (1985).
92. H. Morrison, T. V. Singh, L. de Cardenas, D. Severance, K. D. Jordan, and W. Schaefer, "(
p* +
s*) Molecular Orbital Mixing in
b-Chloroketones and
b-Chloroolefins",
J. Am. Chem. Soc., 108, 3862-3863 (1986).
93. A. Khan and K. D. Jordan, "Theoretical Potential Energy Curves and Spectroscopic Properties of the X2
Su+ and A2
Sg+ States of He2+",
Chem. Phys. Letters, 128, 368-371 (1986).
94. K. K. Sunil and K. D. Jordan, "On the Size of the 4s Orbital of the Cu Atom",
Chem. Phys. Letters, 128, 363-367 (1986).
95. S. Sakai and K. D. Jordan, "Structures and Vibrational Frequencies of HBeOH, HBOH, HCOH, HMgOH, HAlOH, and HSiOH",
Chem. Phys. Letters, 130, 103-110 (1986).
96. P. D. Burrow, A. Modelli, and K. D. Jordan, "Electron Transmission Spectroscopy of the Chlorobenzenes",
Chem. Phys. Letters, 132, 441-447 (1986).
97. P. D. Burrow, J. A. Michejda, and K. D. Jordan, "Electron Transmission Study of the
Temporary Negative Ion States of Selected Benzenoid and Conjugated Aromatic Hydrocarbons",
J. Chem. Phys., 86, 9-24 (1987).
98. M. V. Rama Krishna and K. D. Jordan, "An Extended Valence MCSCF Procedure and its
Application to the Determination of the Dissociation Energies of C2, N2, O2, and F2",
Chem. Phys., 115, 405-421 (1987).
99. M. V. Rama Krishna and K. D. Jordan, "Theoretical Study of the Energetics of the O3(X1A1)
®O2(X3
Sg-) + O(3P) Dissociation Process",
Chem. Phys., 115, 423-432 (1987).
100. V. Balaji, L. Ng, H. K. Patney, K. D. Jordan, and M. N. Paddon-Row, "A Study of Long-Range
p*,
p* Interactions in Rigid Molecules Using Electron Transmission Spectroscopy",
J. Am. Chem. Soc., 109, 6957-6969 (1987).
101. K. D. Jordan and P. D. Burrow, "Temporary Anion States of Polyatomic Hydro- carbons", Chem. Rev., 87, 557-588 (1987).
102. V. Balaji, K. K. Sunil, and K. D. Jordan, "Theoretical Investigation of the
Structure and Stability of AlCO and Al(CO)2 and their Cations", Chem. Phys. Letters, 136, 309-312 (1987).
103. J. Simons and K. D. Jordan, "Ab Initio Electronic Structure of Anions", Chem. Rev., 87, 535-556 (1987).
104. S. Fleischman and K. D. Jordan, "Structures and Stabilities of the (CO2)2- Ions",
J. Phys. Chem., 91, 1300-1302 (1987).
105. J.S.-Y. Chao and K. D. Jordan, "Use of the X
a Method for the Characterization of Temporary Negative Ions",
J. Phys. Chem., 91, 5578-5582 (1987).
106. K. K. Sunil and K. D. Jordan, "Negative Ion Formation in Alkali Halide Clusters"
J. Phys. Chem., 91, 1710-1711 (1987).
107. R. F. Sperlein, M. F. Golde, and K. D. Jordan, "Ab Initio Studies of Electronic
Energy Transfer in the Quenching of CO*(a3
p) by H2",
Chem. Phys. Letters, 142, 359-365 (1987).
108. V. Balaji and K. D. Jordan, "Interactions of Be and Mg Atoms with Ethylene and Acetylene",
J. Phys. Chem., 92, 3101-3105 (1988).
109. M. N. Paddon-Row and K. D. Jordan, "Ab Initio MO Study of 7-Silanorbornadiene and 7,7-dimethyl-7-silanorbornadiene;
Examples of Norbornadienes in which the
p Orbitals Interact Principally Through-bond Rather Than Through-space",
J. Chem. Soc., Chem. Comm., 1988, 1508-1510.
110. K. K. Sunil and K. D. Jordan, "Theoretical Study of the Structure and Stability of the
Low-Lying Electronic States of (NaCl)2+",
Chem. Phys. Letters, 143, 366-370 (1988).
111. K. K. Sunil and K. D. Jordan, "Determination of the Relative Energies and
Spectroscopic Constants of the Low-Lying States of Al2, Al2+, and Al2-",
J. Phys. Chem., 92, 2774-2781 (1988).
112. Y. Choi, K. D. Jordan, Y. H. Paik, W. Chang, and P. Dowd, "Ab Initio Calculations of the
Geometries and IR Spectra of Two Derivatives of Tetramethyleneethane",
J. Am. Chem. Soc., 110, 7575-7576 (1988).
113. K. K. Sunil and K. D. Jordan, "Theoretical Study of the Dipole Moment, Polarizability and
the Derivatives of these Properties of the CO Molecule",
Chem. Phys. Letters, 145, 337-341 (1988).
114. S. Sakai, M. S. Gordon and K. D. Jordan, "Potential Energy Surfaces for the Reaction Si + H2O",
J. Phys. Chem., 92, 7053-7057 (1988).
115. A. M. Ahern, R. L. Garrell, and K. D. Jordan. "Theoretical Investigation of the Normal Mode
Vibrational Frequencies and Intensities of Ethylene",
J. Phys. Chem., 92, 6228-6232 (1988).
116. I. Ishii, R. McLaren, A. P. Hitchcock, K. D. Jordan, Y. Choi, and M. B. Robin, "The
s* Molecular Orbitals of Perfluoroalkanes as Studied by
Inner-Shell Electron Loss and Electron Transmission Spectroscopies", Canadian J. Chemistry, 66, 2105-2121 (1988).
117. M. N. Paddon-Row and K. D. Jordan, "Through-Bond and Through-Space Interactions in
Unsaturated Hydrocarbons: Implications for Chemical Reactivity and Long-Range Electron Transfer", in
Molecular Structure and Energetics: Bonding and Delocalization, editors,
J. F. Liebman and A. Greenberg (1988). 118. Y. Choi and K. D. Jordan,
"Electron Transmission Spectra of Carbonyl Fluoride: Dhem. Soc., Perkin Trans., 2,
Chem. Phys. Letters, 156, 450-454 (1989).
119. B. D. Maxwell, J. J. Nash, H. A. Morrison, M. F. Falcetta and K. D. Jordan, "Photochemical
Activation of Distal Functional Groups in Polyfunctional Molecules. Activation of a Carbon-Chlorine Bond by the
Trimethylsilyl Enol Ether Chromophore Via (
p* +
s*) LUMO Mixing",
J. Am. Chem. Soc., 111, 7914-7924 (1989).
120. K. K. Sunil and K. D. Jordan, "Theoretical Study of the NaClNaCl- ®
ClNaNaCl- Interconversion",
Chem. Phys. Letters, 164, 509-513 (1989).
121. M. F. Falcetta, K. D. Jordan, J. E. McMurry, and M. N. Paddon-Row, "Through-Bond and Through-Space Interactions in Cyclic Polyenes",
J. Am. Chem. Soc., 112, 579-586 (1990).
122. M. N. Paddon-Row, S. S. Wong, and K. D. Jordan, "Ab Initio SCF MO and Natural Bond Orbital (NBO)
Studies of 7-Silanorbornadiene and 7,7-Dimethyl-7-sila-norbornadiene; Two Molecules Possessing an Inverted Sequence of Orbitals",
J. Am. Chem. Soc., 112, 1710-1722 (1990).
123. M. N. Paddon-Row, S. S. Wong, and K. D. Jordan "An Ab Initio SCF MO Study of the Electronic Structure of
7-Germanonorbornadiene and 7-Stannanorbornadiene: Two Molecules Predicted to Have an Inverted Sequence of
p Levels", J. Chem. Soc., Perkin Trans., 2, 417-423 (1990).
124. M. N. Paddon-Row, S. S. Wong, and K. D. Jordan, "A Cautionary Comment on the Use of Localized Molecular
Orbitals for the Quantitative Analysis of Through-Space and Through-Bond Orbital Interactions",
J. Chem. Soc., Perkin Trans., 2, 425-430 (1990).
125. K. K. Sunil, J. H. Yates, and K. D. Jordan, "Theoretical Study of the Isomerization of Cyanogen",
J. Chem. Phys. Letters, 171, 185-190 (1990).
126. J. S.-Y Chao, M. F. Falcetta, and K. D. Jordan, "Application of the
Stabilization Method to the N2-(X2
Pg) and Mg-(12P) Temporary Anion States",
J. Chem. Phys., 93, 1125-1135 (1990).
127. J. R. Johnson, K. D. Jordan, D. F. Plusquellic, and D. W. Pratt, "High Resolution S1
¼S0 Fluorescence Excitation Spectra of the
1- and 2-Hydroxynaphthalenes. Distinguishing the cis and trans Rotamers"
J. Chem. Phys., 93, 2258-2273 (1990).
128. M. F. Falcetta and K. D. Jordan, "Assignments of the Temporary Anion States of the
Chloromethanes",
J. Phys. Chem., 90, 5666-5669 (1990)
129. M. F. Falcetta and K. D. Jordan, "Electron Energy Loss Study of Vibrational and Electronic
Excitation Processes in Butadiene: The Role of Core-excited Anion States",
J. Am. Chem. Soc., 113, 7457-7461 (1991).
130. M. F. Falcetta and K. D. Jordan, "Assignment of the
p* Anion States of 1,4-Cyclohexadiene",
J. Am. Chem. Soc., 113, 2903-2909 (1991).
131. P. Nachtigall, K. D. Jordan, and K. Janda, "Calculation of the Si-H Bond Energies for the Monohydride Phase of Si(100)", J.
Chem. Phys., 95, 8652-8654 (1991).
132. C. J. Tsai and K. D. Jordan, "Monte Carlo Simulation of (H2O)8:
Evidence for a Low-energy S4 Structure and Characterization of the
óSolid
ó
½
óLiquid
ó Transition",
J. Chem. Phys., 95, 3850-3853 (1991).
133. P. Nachtigall and K. D. Jordan "Theoretical Study of the Low-lying Triplet and Singlet States of Diradicals. I. Tetramethyleethane",
J. Am. Chem. Soc., 114, 4743-4747 (1992).
134. K. D. Jordan and M. N. Paddon-Row, "Long-Range Interactions in a Series of Rigid
Non-conjugated Dienes. I. Distance Dependence of the
p+,
p- and
p+*,
p-* Splittings Determined by Ab Initio Calculations",
J. Phys. Chem., 96, 1188-1196 (1992).
135. P. Nachtigall, P. Dowd, and K. D. Jordan "Theoretical Study of the Low-lying Triplet and Singlet States of
Diradicals. II. Cyclopentadienyltrimethylenemethane",
J. Am. Chem. Soc., 114, 4747-4752 (1992).
136. K. D. Jordan and M. N. Paddon-Row, "Analysis of the Interactions Responsible for Long-range
Through-bond Modulated Electronic Coupling between Remote Chromophores Attached to Rigid Polynorbornyl Bridges",
Chem. Rev., 92, 395-410 (1992).
137. K. K. Sunil, P. M. Bolkovac, and K. D. Jordan "Cooperative Effects in
Ligand Binding to Metal Atoms: the Bonding in M(CO)2, M = Be, Al and Ga, and in Be2(CO)4
and Be(C2H4)(CO)n, n = 0-2", in Metal Atom Reactions, Ed., A. Fontijn, Elsevier Science Publishers,
North Holland, p. 215-226 (1992).
138. P. D. Burrow, A. E. Howard, A. R. Johnston, and K. D. Jordan, "Temporary Anion States of HCN,
CH3CN, CH2(CN)2, selected Cyanoethylenes, Benzonitrile, and TCNQ",
J. Phys. Chem., 96, 7570-7578 (1992).
139. J. J. Nash, P. Dowd, and K. D. Jordan, "Theoretical Study of the Low-lying Triplet
and Singlet States of Diradicals: Prediction of Ground State Multiplicities in Rigid Analogues of Tetramethyleneethane",
J. Am. Chem. Soc., 114, 10071-10072 (1992).
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