Methods and Applications of Computational Chemistry. 2nd International Symposium. Kyiv, Ukraine, 2-4 July 2007. Books of Abstractsсборник

Статьи, опубликованные в сборнике

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• • 2007 Comparison of various perturbation theory quantum-chemical methods on example of XYCO (X,Y = H, F, Cl) molecules in lowest excited electronic states
  • Bokarev S.I., Bataev V.A., Godunov I.A.
  • в сборнике Methods and Applications of Computational Chemistry. 2nd International Symposium. Kyiv, Ukraine, 2-4 July 2007. Books of Abstracts, тезисы, с. 99-99
• • 2007 Extrapolation techniques for determination of the relative energies of conformers and barriers to conformational transitions
  • Bataev V.A., Bokarev S.I., Bokareva O.S., Rastoltseva E.V., Godunov I.A.
  • в сборнике Methods and Applications of Computational Chemistry. 2nd International Symposium. Kyiv, Ukraine, 2-4 July 2007. Books of Abstracts, тезисы, с. 38-38
• • 2007 Structure and conformational dynamics of acrolein molecule in ground and lowest 1,3(n,π*) excited electronic states
  • Bokareva O.S., Bataev V.A., Pupyshev V.I., Godunov I.A.
  • в сборнике Methods and Applications of Computational Chemistry. 2nd International Symposium. Kyiv, Ukraine, 2-4 July 2007. Books of Abstracts, тезисы, с. 100-100
• • 2007 Theoretical investigation of structure and conformational dynamics of the cyclopropanecarboxaldehyde molecule in the ground and excited electronic states
  • Rastoltseva E.V., Bataev V.A., Godunov I.A.
  • в сборнике Methods and Applications of Computational Chemistry. 2nd International Symposium. Kyiv, Ukraine, 2-4 July 2007. Books of Abstracts, тезисы, с. 101-101