Small Molecules Publications Ordered by Year
Higlighted titles link to abstracts
Some recent articles are on-line; see Links page for journal websites
Numbers match publication list
R-review article or chapter
C-published required conference proceedings paper
7. "Vibrational Circular Dichroism," L. A. Nafie, T. A. Keiderling and P. J. Stephens, Journal of the American Chemical Society, 98, 2715-23 (1976).
8. "Vibrational Circular Dichroism of Overtone and Combination Bands,"
T. A. Keiderling and P. J. Stephens, Chemical Physics Letters, 41, 46-48
(1976).
9. "Vibrational Circular Dichroism of Dimethyl Tartrate: A Coupled
Oscillator," T. A. Keiderling and P. J. Stephens, Journal of the American
Chemical Society, 99, 8061-62 (1977).
12 . "Vibrational Circular Dichroism of Spirononadiene. Fixed Partial
Charge Calculations," T. A. Keiderling and P. J. Stephens, Journal
of the American Chemical Society, 101, 1396-1400 (1979).
13. "The Conformation of Dimethyl Tartrate in Solution. Vibrational
Circular Dichroism Results," C. N. Su and T. A. Keiderling, Journal
of the American Chemical Society, 102, 511-15 (1980).
17. "Vibrational Circular Dichroism of 3-Methyl Cyclohexanone. Fixed Partial Charge Calculations," R. D. Singh and T. A. Keiderling, Journal of Chemical Physics, 74, 5347-56 (1981).
R18. "Vibrational Circular Dichroism," T. A. Keiderling, Applied Spectroscopy Reviews, 17, 189-225 (1981).
21. "Vibrational Circular Dichroism of Methyl Deformation Modes," C. N. Su and T. A. Keiderling, Chemical Physics Letters, 77, 494-99 (1981).
22. "Vibrational Circular Dichroism of Optically Active Cyclopropanes. Experimental Results," V. J. Heintz and T. A. Keiderling, Journal of the American Chemical Society, 103, 2395-2403 (1981).
23. "Vibrational Circular Dichroism of Monoterpenes. Consistent
Force Field, Fixed Partial Charge Calculations," R. D. Singh and T.
A. Keiderling, Journal of the American Chemical Society, 103, 2387-94 (1981).
26. "Mid-infrared Vibrational Circular Dichroism Studies of Cyclophosphamide
and Its Congeners," C. N. Su, T. A. Keiderling, K. Misura, and W. J.
Stec, Journal of the American Chemical Society, 104, 7343-44 (1982).
27. "Molecular Structure and Vibrational Circular Dichroism of Tris(trans-1,2-cyclopropanediyldimethylene)Diborate, a New, Stable Bridged Borate Ester," V. J. Heintz, W. A. Freeman and T. A. Keiderling, Inorganic Chemistry, 22, 2319-24 (1983).
29. "Coupled Oscillator Interpretation of the Vibrational Circular
Dichroism of Several Dicarbonyl-Containing Steroids," U. Narayanan
and T. A. Keiderling, Journal of the American Chemical Society, 105, 6406-10
(1983).
35. "Vibrational Circular Dichroism of Trans-1,2-dideuteriocyclobutane.
A Comparison of Fixed Partial Charge and Localized Molecular Orbital Theories
with Different Force Fields," A. Annamalai, J. S. Chickos and T. A.
Keiderling, Journal of the American Chemical Society, 106, 6254-62 (1984).
36. "Vibrational Spectra and Normal Mode Calculations for Cis- and Trans-1,2-dideuteriocyclobutane," A. Annamalai and T. A. Keiderling, Journal of Molecular Spectroscopy 109, 46-59 (1985).
37. "Vibrational Circular Dichroism of Trans-1,2-dideuterio cyclobutane.
Experimental and Calculational Results in the Mid Infrared," A. Annamalai,
T. A. Keiderling and J. S. Chickos, Journal of the American Chemical Society,
107, 2285-91 (1985).
43. "Thermolysis of (1R,2R)-1,2- Dideuteriocyclobutane. An application
of Vibrational Circular Dichroism to Kinetic Analysis," J. S. Chickos,
A. Annamalai, and T. A. Keiderling, Journal of the American Chemical Society,
108, 4398-4402 (1986).
52. "Vibrational Circular Dichroism of Optically Active Cyclopropanes
III. trans- 2-Phenylcyclopropane Carboxylic Acid Derivatives and Related
Compounds." S. C. Yasui and T. A. Keiderling, Journal of the American
Chemical Society, 109, 2311-2320 (1987).
61. "Vibrational Circular Dichroism of Optically Active Substituted Allenes. Experimental Results," U. Narayanan, T. A. Keiderling, C. Elsevier, P. Vermeers, W. Runge, Journal of the American Chemical Society 110 4133-4138 (1988).
62. "Vibrational Circular Dichroism of Optically Active Substituted Allenes. Calculational Results," U. Narayanan, T. A. Keiderling; Journal of the American Chemical Society 110, 4139-4144 (1988).
67. "Vibrational Spectra of 1,3-dideuterioallene and Normal Mode Calculations for Allene," U. Narayanan, A. Annamalai and T. A. Keiderling, Spectrochimica Acta 44A, 785-791 (1988).
69. "Normal Coordinate Analysis of Dicyanocyclopropane," A. A. El-Azhary, J. S. Alper, M. A. Lowe, T. A. Keiderling, Spectrochimica Acta, 44A 1315-1326 (1988).
C70. "Raman Optical Activity of Small Molecules on a Spectrometer Assembled from Commercially Available Components,"M. R. Vavra, T. A. Keiderling, in "Eleventh International Conference on Raman Spectroscopy," ed. R. J. H. Clark and D. A. Long, John Wiley, Chichester, U.K., p. 973-974, (1988).
71. "(1R,7R)-7-Methyl-6,9,-Diazatricyclo[6,3,0,01,6]Tridecanne-5,10-Dione,
A Tricyclic Spirodilactam Containing Non-planar Amide Groups: Synthesis,
NMR, Crystal Structure, Absolute Configuration, Electronic and Vibrational
Circular Dichroism" P. Malon, C. L. Barness, M. Budesinsky, R. K. Dukor,
D. van der Helm, T. A. Keiderling, Z. Koblicova, F. Pavlikova, M. Tichy,
K. Blaha, Collections of Czechoslovak Chemical Communications 53, 2447-2472
(1988).
76. "Vibrational Circular Dichroism of 1,3-d2-allene. A Calculational
Study" A. Annamalai, U. Narayanan, M.-C. Tissot, T. A. Keiderling,
K. Jalkanen, P. J. Stephens, Journal of Physical Chemistry 94, 194-199 (1990).
85. "A Study of the Catalytic Deuteration of 1,4-Butynediol" J. S. Chickos, J. Uang, T. A. Keiderling, Journal of Organic Chemistry, 56, 2594-2596 (1991).
90. "Vibrational Circular Dichroism Study of [3R, 4R]-dideuterio
cyclobutane-1,2-dione. Preliminary Comparison of Experiment and Calculations."
P. Malon, T. A. Keiderling, J. Uang, J. S. Chickos, Chemical Physics Letters
179, 282-290 (1991).
104. "Vibrational Circular Dichroism Study of (2S,3S)-dideuterio-butyrolactone. Synthesis, Normal Mode Analysis and Comparison of Experimental and Calculated Spectra." P. Malon, L. J. Mickley, K. M. Sluis, C. N. Tam, T. A. Keiderling, S. Kamath, J. Y. Uang, J. S. Chickos, Journal of Physical Chemistry 96 10139-10149 (1992).
105. "Computational Evaluation of the Coupled Oscillator Model in
the Vibrational Circular Dichroism of Selected Small Molecules" P.
Bour, T. A. Keiderling Journal of the American Chemical Society 114,
9100-9105 (1992).
114. "Ab Initio Simulations of the Vibrational Circular Dichroism of Coupled Peptides" P. Bour and T. A. Keiderling, Journal of the American Chemical Society 115 9602-9607 (1993).
C116. "Ab initio Simulations of Coupled Peptide Vibrational Circular Dichroism" P. Bour, T. A. Keiderling in "Fifth International Conference on The Spectroscopy of Biological Molecules" Th. Theophanides, J. Anastassopoulou, N. Fotopoulos (Eds), Kluwen Academic Publ., Dortrecht, 1993, p. 29-30.
C124. "Vibrational Circular Dichroism of cyclo (tri-L-2-azetidine
carbonyl)" P. Malon, J. Pirkova, W. Mastle, T. A. Keiderling in "Peptides
1992, Proceedings of 22nd European Peptide Symposium," Interlaken (1993),
C. H. Schneider and A. Y. Eberle, Eds. ESCOM, Publ., Leiden, 1993, pp 499-500.
155. "Vibrational optical activity Study of trans-Succinic-d2 anhydride." Petr Bour, Cheok Tam, M. Shaharuzzaman, J. S. Chickos, T. A. Keiderling, Journal of Physical Chemistry 100, 15041-15048 (1996)
156. "Vibrational optical activity of
(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione" C. N. Tam, P. Bour,
T. A. Keiderling, Journal of the American Chemical Society 118, 10285-10293
(1996).
165. "An Experimental Comparison of Vibrational Circular Dichroism and Raman Optical Activity Using 1-amino-2-propanol and 2-amino-1-propanol as Model Compounds" Cheok N. Tam, Petr Bour and Timothy A. Keiderling, Journal of the American Chemical Society 1 19 7061-7064 (1997).
199. "Polarization Modulation Fourier Transform Infrared Spectroscopy with Digital Signal Processing: Comparison of Vibrational Circular Dichroism Methods." Jovencio Hilario, David Drapcho, Raul Curbelo, Timothy A. Keiderling, Applied Spectroscopy 55, 1435-1447 (2001)--accelerated paper
201. "Ab Initio Calculation of Amide Carbonyl Stretch Vibrational Frequencies in Solution with Modified Basis Sets. I. N-Methyl Acetamide" Jan Kubelka and T. A. Keiderling, Journal of Physical Chemistry A 105, 10922-10928 (2001)