William C. Bailey


Ph.D., State University of New York at Albany, 1971

 


 


 

 

 I'm the one on the left.


 


 


Professor of Physics


Chemistry-Physics Department


Kean University


Union, NJ 07083


 


e-mail: wcbailey@mac.com

 
 
Research
 
Calculation of Nuclear Quadrupole Coupling Constants
in Gaseous State Molecules

 

 

Recent Publications


 


"Calculation of bromine nuclear quadrupole coupling constants in gaseous state molecules", with F. M. Gonzalez, J. Mol. Struct. 651-653, 689 (2002).  Full text PDF.

 


"Calculation of 14N and 33S quadrupole coupling constants on optimized molecular structures of thiazole", J. Mol. Spectrosc. 209, 57 (2001).  Full text PDF.

 


"DFT and HF-DFT calculation of 14N and 35Cl quadrupole coupling constants on optimized molecular structures of pyrimidine,  2-X- and 5-X-pyrimidine , with X = F, Cl, Br, and CN", Chem. Phys. 269, 75 (2001).  Full text PDF.

 


"DFT and HF-DFT calculation of 14N and 35Cl quadrupole coupling constants on optimized molecular structures of pyridine and the monochloropyridines", J. Mol. Struct. (Theochem)  541, 195 (2001).  Full text PDF.

 


"DFT and HF-DFT calculation of 17O, 33S, and 73Ge quadrupole coupling constants", with F. M. Gonzalez and J. Castiglione, Chem. Phys. 260, 327 (2000).  Full text PDF.

 


"DFT and HF-DFT calculation of 14N quadrupole coupling constants in molecules", Chem. Phys. 252, 57 (2000).  Full text PDF.

 


"B3LYP calculation of 17O quadrupole coupling constants in molecules", Chem. Phys. Lett. 292, 71 (1998).  Full text PDF.

 


"B3LYP calculation of deuterium quadrupole coupling constants in molecules", J. Mol. Spectrosc. 190, 318 (1998).  Full text PDF.

 


"Prediction of 11B quadrupole coupling constants in molecules",  J. Mol. Spectrosc. 185, 403 (1997).  Full text PDF.


 

 
Poster Presentation
 
"Calculation of 14N Quadrupole Coupling Constants on Optimized Molecular Structures of N-Methylpyrrole"  Molecular Quantum Mechanics, An International Conference, University of Washington, July 2001.  Poster PDF.