Practical Aspects of Computational Chemistry III

  • Jerzy Leszczynski
  • Manoj K. Shukla

Table of contents

  1. Front Matter
    Pages i-viii
  2. Volodymyr Ivashchenko, Stan Veprek, Patrice Turchi, Jerzy Leszczynski
    Pages 45-91
  3. Frank Hagelberg, Jianhua Wu, Anahita Ayasoufi, Jerzy Leszczynski
    Pages 167-186
  4. Alexander Golbraikh, Denis Fourches, Alexander Sedykh, Eugene Muratov, Inta Liepina, Alexander Tropsha
    Pages 187-230
  5. H. C. Georg, T. S. Fernandes, S. Canuto, N. Takenaka, Y. Kitamura, M. Nagaoka
    Pages 231-247
  6. Devashis Majumdar, Szczepan Roszak, Jing Wang, Tandabany C. Dinadayalane, Bakhtiyor Rasulev, Henry Pinto et al.
    Pages 283-322
  7. Piotr Storoniak, Haopeng Wang, Yeon Jae Ko, Xiang Li, Sarah T. Stokes, Soren Eustis et al.
    Pages 323-392
  8. Back Matter
    Pages 429-436

About this book


Theoretical and Computational Chemistry research has made unparalleled advancements in understanding every expanding area of science and technology. This volume presents the state-of-the-art research and progress made by eminent researchers in the area of theoretical computational chemistry and physics. The title mirrors the name of the annual international conference “Conference on Current Trends on Computational Chemistry” (CCTCC) which has become a popular discussion ground for eminent Theoretical and Computational Chemists and has been honored by the presence of several Nobel Laureates. Practical Aspects of Computational Chemistry III is aimed at theoretical and computational chemists, physical chemists, material scientists, and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. The book is a valuable resource for undergraduate, graduate, and PhD students as well as established researchers.


CCTC Computational Chemistry Computational Material Science Electron Correlated Methoodolgy Electronic Structure Theory

Editors and affiliations

  • Jerzy Leszczynski
    • 1
  • Manoj K. Shukla
    • 2
  1. 1.Department of Chemistry and BiochemistryInterdisciplinary Center for Nanotoxicity, Jackson State UniversityJacksonUSA
  2. 2.Environmental LaboratoryUS Army Engineer Research and Development CenterVicksburgUSA

Bibliographic information