Charles Bock

Charles W. Bock
Computational Chemistry and Mathematics

Dr. Bock graduated with a Ph.D. in Physics from Drexel University. He teaches the mathematics sequence to science, engineering, and pre-medical students.  

His research focuses on computational chemistry and he has published more than 200 papers.  His interests include the structures and IR frequencies of linear polyenes, the structures, thermochemistry, reaction mechanisms, and bonding of boronic and borinic acids, boronic esters, boroxines, the thermochemical evaluations of aromaticity using homodesmotic/isodesmic reactions, mutagenicity/carcinogenicity of dyes, the binding of metal ions to water molecules, etc.  He employs a variety of computational techniques including ab initio molecular orbital methodology and density functional theory.


  1. N.Z.Rao, J.D.Larkin, C.W.Bock, A comparison of the structure and bonding in the aliphatic boronic R–B(OH)2 and borinic R–BH(OH) acids (R=H; NH2, OH, and F): a computational investigation, Struc. Chem. (2015) DOI: 10.1007/s11224-015-0730-5.

  2. A computational investigation of monosubstituted boroxines (RH2B3O3): structure and formation, Niny Z. Rao, Joseph D. Larkin, Charles W. Bock, Struct. Chem 2015; 26:1151-1162 DOI 10.1007/s11224-015-0577-9.

  3. Structural and vibrational analyses of t,C,t,T,t,T,t-deca-1,3,5,7,9-pentaene, Yurii N. Panchenko, Charles W. Bock, George R. De Maré, Alexander V. Abramenkov, Vibrational Spectroscopy 03/2013; 65:159–164. DOI:10.1016/j.vibspec.2012.12.006.