Representative Projects
 
 Decahelicene: the sheep horn effect by Hens Borkent, CAOS/CAMM Center, University of Nijmegen, Netherlands.  
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   As of October 7, 1997, Kruglyak R & T  had  assisted  27  clients  with 14 projects, ranging  from WebSite and printing   documents  design   to  Contract   teaching  to  Computational  chemistry  research etc.    

   You are kindly invited to review  the  following  lists of representative projects:    

Scientific, Technical, and Teaching  
      Communications Projects    
WebSite Development Projects    
Molecular Modelling Projects    

   Unfortunately, a number of  confidentiality & no-trade agreements prevent us from posting  full details on  this WebSite. Please, contact us if you would like more Info. 

 

Scientific, Technical, and Teaching Communications Projects:  
Top | Communications Projects | WebSite Projects | Molecular Modelling Projects 
  

WebSite Development Projects: 

Top | Communications Projects | WebSite Projects | Molecular Modelling Projects 
 
Molecular Modelling Projects: 
  • Quantum-Mechanical Theory of Ionic Solvation Under contract to Professor Nikolai Izmailov, Department of Physical Chemistry, Kharkov State University, Kharkov, Ukraine
  • Chlorination of Butadiene: Quantum-Chemical Studies Under contract to Prof. A. A. Babayan, Yerevan University, Armenia
  • Hole Theory of Gas Solubility with Application to Concentration and Saving of Di- and Tri-Acetylenes: Problem of a Solvent Choice Under contract to Severodonetskiy Chemical Concern, Ukraine
  • Development of First Soviet Codes for Different Versions of Huckel MO Theory, Extended HMO, PPP and All-Valence Electron Semiempirical Approximations up to Gaussian ab initio codes for Atoms and Molecules: Closed and Open Shell Theory, Restricted, Unrestricted, and Extended Approximations, Restricted and Full Configuration Interaction Approaches Under contract to Professor A.I.Brodsky, The L.V.Pisarzhevsky Insitute of Physical Chemistry, National Academy of Sciences of Ukraine[NASU], Kiev, Ukraine
  • Molecular Quantum Mechanics and Computations: Intra- and InterMolecular Interactions Under contract to Professor V.P.Shelest and Professor A.S.Davydov, The N.N.Bogolyubov Institute for Theoretical Physics, NASU, Kiev, Ukraine
  • Molecular Mechanics and Conformational Analysis of Crown Ethers Under contract to Professor A.V.Bogatsky, The A.V.Bogatsky Physico-Chemical Institute, NASU, Odessa, Ukraine
  • Fully Weighted Molecular Graph Invariants Approach With Application to Structure - Critical Properties Quantitative Predictions: Alkanes, Freons, and Their Si- and Ge-Analogues Under Individual contract to International Science Foundation, New York, USA

Top | Communications Projects | WebSite Projects | Molecular Modelling Projects
 
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