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Ivo  Cacelli


Position:

Associate professor


 

Address:

Department of  Chemistry, University of Pisa    

via Giuseppe Mor+-zzi 13

56124  Pisa,  Italy



Phone:

+39-050-221 9 236


Fax:

+39-050-222 0 673


E-mail:

ivo@dcci.unipi.it

 

 

 

 

 

 

Research fields

  • Quantum Mechanics     Theoretical Chemistry     Computational Chemistry

Current research projects

  • Development of methods to parametrize Force Fileds from quantum chemical calculations
  • Development of methods for the calculation of intermolecular energies of large molecules
  • Theoretical study of electron transport through single molecules in micro-electronics science
  • Theoretical study of magnetic splittings in polyradicals
  • Development of methods for Multi Reference  post-HF calculations

Didactics

Publications

Links

·  Theoretical Group of Liquid Crystals  at the Department of Chemistry, Pisa

Implemented codes and executables

JOYCE

user installation guide (pdf)

source code and examples (gzipped tar)

FRM

user installation guide (txt)

source code and examples (gzipped tar)

Collaborations

 

Paolo R