1. Calculation of Magnetic Shielding Constants I.  General Theory and Application to HF Molecule, D. Zeroka and H. F. Hameka, J. Chem. Phys.  45, 300-11 (1966).

2. Helix-Coil Transition in Heterogeneous Chains:  I. Protein Model, M. Fixman and D. Zeroka, J. Chem. Phys. 48, 5223-30 (1968).

3. Diamagnetism of Atoms and Molecules with Unpaired Electrons, D. Zeroka and T. B. Garrett, J. Am. Chem. Soc. 90, 6282-83 (1968).

4. Note on the Correlation of the K-Shell Electron Binding Energy with NMR Chemical Shifts, D. Zeroka, Chem. Phys. Letters 14, 471-74 (1972).

5. Theoretical Studies of Diamagnetic Properties of the Hydrogen Molecule Ion I.  Approximate Variation-Perturbation Calculation, T. B. Garrett and D. Zeroka, Int. J. of Quantum Chem. 6, 651-61 (1972).

6. Theoretical Studies of Diamagnetic Properties of the Hydrogen Molecule Ion II.  Effects of Varying Internuclear Separation, T. B. Garrett and D. Zeroka, Int. J. of Quantum Chem. 6, 663-68 (1972).

7. Theoretical Studies of Diamagnetic Properties of the Hydrogen Molecule Ion I.  Approximate Variation- Perturbation Calculation, T. B. Garrett and D. Zeroka, Int. J. of Quantum Chem. 7, 635-36 (1973).

8. Calculation of Magnetic Shielding Constants of Diatomic Molecules I. General Theory and Application to HF Molecule, D. Zeroka and H. F. Hameka, J. Chem. Phys. 59, 2171 (1973).

9. A Variational Principle for Weak Stimulated Absorptions with Energy Minimizing Fields, J. A. Texter and D. Zeroka, Chem. Phys. Letters 20, 387-90 (1973).

10. Variation of the Diamagnetic Properties of the Hydrogen Molecule with Internuclear Separation, D. Zeroka, J. Chem. Phys. 59, 3835-41 (1973).

11. Variation of the Polarizability of the Hydrogen Molecule Ion with  Internuclear Separation, D. Zeroka, Int. J. of Quantum Chem. 8, 91-95 (1974).

12. Two Center One Electron Molecular Integrals of a Certain Type, D. Zeroka, J. Chem. Phys. 68, 4766-67 (1978).

13. Calculation of the Deuterium Electric Field Gradient in LiD, A. J. Pietrovito, H. F. Hameka and D. Zeroka, J. Chem. Phys. 81, 1960-65 (1984).

14.  The Molecular Structure of H2S2 and Barriers to Internal Rotation, D. A. Dixon, D. Zeroka, J. J. Wendoloski, and Z. R. Wasserman, J. Phys. Chem. 89, 5334-36 (1985).

15. Calculation of the Deuterium Electric Field Gradient in DF, H.-W. Kim, H. F. Hameka and D. Zeroka, J. Chem. Phys. 84, 5639-44 (1986).

16. Adsorption of Methoxy on Cu(100), D. Zeroka and R. Hoffmann, Langmuir 2, 553-58 (1986).

17. Calculation of the Vibrational Dependence of the Electric Field Gradient in HD, H.-W. Kim, H. F. Hameka, and D. Zeroka, J. Chem. Phys. 88, 3159-62 (1988).

18. Review of "Spectral Theory and Differential Operators" by D. E. Edmunds and W. D. Evans, D. Zeroka, J. Am. Chem. Soc. 111, 4147 (1989).

Adsorption of Methoxy on Ni(110), D. Zeroka, Proceedings of 1988 U.S. Army Chemical Research, Development, and Engineering Center Scientific Conference on Chemical Defense Research (Aberdeen Proving Ground, Maryland), Vol. 1, 437-443 (1989).

 

D. Zeroka, "Adsorption of Methyl on Ni(110)", PACIFICHEM '89, International Chemical Congress of Pacific Basin Societies, Symposium  on Methane Activation, Conversion and Utilization, Honolulu, Hawaii (Dec. 17-20, 1989) pp 77-79.

 

Theoretical Prediction of VCD Spectra, D. Zeroka, G. R. Famini, J. O. Jensen, A. H. Carrieri, and C. F. Chabalowski, Proceedings of 1989 U.S. Army Chemical Research, Development, and Engineering Center Scientific Conference on Chemical Defense Research (14-17 November 1989, Aberdeen Proving Ground, Maryland) 181-191 (1990).

 

Theoretical Prediction of Vibrational Circular Dichroism Spectra, D. Zeroka, G. R. Famini, J. O. Jensen, A. H. Carrieri, and C. F. Chabalowski, CRDEC-CR-063 (1990).

 

Theoretical Prediction of Vibrational Circular Dichroism Spectra of Sugars, D. Zeroka, J. O. Jensen, A. H. Carrieri, G. R. Famini, and C. F. Chabalowski, Proceedings of 1989 U.S. Army Chemical Research, Development, and Engineering Center Scientific Conference on Chemical  Defense Research (13-16 November 1990, Aberdeen Proving Ground, Maryland) 137-147 ( April 1992).

 

Theoretical Prediction of Vibrational Circular Dichroism Spectra of Hexoses in Linear Form, D. Zeroka, J. O. Jensen, A. H. Carrieri, and J. L. Jensen, CRDEC-TR-375 Report (1992), 55 pages.

 

Theoretical Prediction of Vibrational Circular Dichroism Spectra of Sugars, D. Zeroka, J. O. Jensen, A. H. Carrieri, G. R. Famini, and C. F. Chabalowski, Proceedings of 1991 U.S. Army Chemical Research, Development, and Engineering Center Scientific Conference on Chemical Defense Research (19-22 November 1991, Aberdeen Proving Ground, Maryland) 541-550 (June 1993).

 

Theoretical Prediction of Vibrational Circular Dichroism of R-Glyceraldehyde, R-Erythrose, and R-Threose   I. Computational Results, D. Zeroka, J. O. Jensen, and J. L. Jensen, ERDEC-TR-112 Report (Nov. 1993), 111 pages.

 

Theoretical Prediction of Vibrational Circular Dichroism of R-Glyceraldehyde, R-Erythrose, and R-Threose II. Development of a Procedure to Scale the Force Constant Matrix Expressed in Terms of Internal Coordinates, D. Zeroka, J. O. Jensen, and J. L. Jensen, ERDEC-TR-112 Report (Nov. 1993), 43 pages.

Consideration of the Effect of Electron Correlation on the Normal Mode Vibrational Frequencies on Methanol and R-Glyceraldehyde, D. Zeroka, J. K. Shoneman and J. O. Jensen,  Proceedings of 1993 ERDEC Scientific Conference on Chemical Defense Research (16-19 November 1993, Aberdeen Proving Ground, Maryland) 759-770 (August 1994).

Theoretical Prediction of Vibrational Circular Dichroism of Sugars CnH2nOn with n = 3, 4, and 5.  D. Zeroka, J. O. Jensen, A. Carrieri, G. R. Famini, and C. F. Chabalowski, ERDEC-TR-201 Report (1994), 63 pages.

21. Rotation/Inversion Barriers for Amino Group in Ethylamine, D. Zeroka, J. O. Jensen and A. C. Samuels, J. Phys. Chem. A 102, 6571-6579 (1998).

22.  Infrared Spectra of Two Isotopomers of Isopropylphosphine: A Theoretical Study, D. Zeroka and J. O. Jensen, Phosphorus, Sulfur, Silicon and the Related Elements  141, 201-220 (1998).

23.  Vibrational Frequencies and Structural Determination of 1,4-Dithiane, T. E. Rosso, M. W. Ellzy, J. O. Jensen, H. F. Hameka, and D. Zeroka, Spectrochimica Acta A55, 121-134 (1999).

24.  Infrared Spectra of Some Isotopomers of Isopropylamine: A Theoretical Study, D. Zeroka, J. O. Jensen, and A. C. Samuels, Int. J. Quantum Chem. 72, 109-126 (1999).

25.  Infrared Spectra of Some Isotopomers of Ethylamine and Ethylammonium Ion: A Theoretical Study, D. Zeroka, J. O. Jensen and A. C. Samuels, J. Mol. Struct. (Theochem) 465, 119-139 (1999).

26.  Theoretical Studies of the Infrared and Raman Spectra of P4S10, J. O. Jensen and D. Zeroka, J. Mol. Struct. (Theochem) 487, 267-274 (1999).

27.    Theoretical Studies of the Infrared and Raman Spectra of P4S3 and  P4S7, J. O. Jensen, D. Zeroka, and A. Banerjee, J. Mol. Struct. (Theochem), 505, 31-43 (2000).

28.  A Theoretical A Theoretical Study of  P4O6: Vibrational Analysis and Infrared and Raman Spectra, J. O. Jensen, A. Banerjee, C. N. Merrow, D. Zeroka, and J. M. Lochner, J. Mol. Struct. (Theochem), 531, 323-31 (2000).

29. Rotational Spectrum of Sarin, A. R. Hight Walker, R. D. Suenram, A. Samuels, J. Jensen, M. W. Ellzy, J. M. Lochner, and D. Zeroka, J. of Mol. Spectrosc. 207, 77-82 (2001).

30. Adsorption of Methyl or Methoxy Species on Ni(110), D. Zeroka, Topics in Catalysis, original manuscript submitted 06-00 and revision of manuscript in progress.

31.  A Theoretical Study of Methylphosphine CH3PH2 and Selected Isotopomers: Vibrational Analysis and Infrared Spectrum, H.-W. Kim and D. Zeroka, J. Mol. Struct. (Theochem), 571, 59-70 (2001).

32. Vibrational Frequencies and Structural Determination of 1,4-thioxane, M. W. Ellzy, J. O. Jensen, H. F. Hameka, J. G. Kay, and D. Zeroka, Spectrochimica Acta Part A 55, 121-134 (2001).

33. A Theoretical Study of Ethylphosphine CH3CH2PH2 and Selected Isotopomers: Vibrational Analysis and Infrared Spectrum, H.-W. Kim and D. Zeroka, J. Mol. Struct. (Theochem) manuscript in preparation.

34. A Theoretical Study of  P4O10: Vibrational Analysis and Infrared and Raman Spectra, J. O. Jensen, A. Banerjee, C. N. Merrow, D. Zeroka, and J. M. Lochner, J. Mol. Struct. (Theochem), manuscript in preparation.

35. Theoretical Considerations of O6 Structures: O6 Ring and O3 Dimers [(O3)2], J. O. Jensen, D. Zeroka, R. C. Robbins, and A. C. Samuels, manuscript in preparation.
 

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