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Projects / Programmes source: ARIS

Steric effect in dynamics of molecular complexes and chemical reactions

Research activity

Code Science Field Subfield
1.04.02  Natural sciences and mathematics  Chemistry  Structural chemistry 

Code Science Field
P400  Natural sciences and mathematics  Physical chemistry 
P410  Natural sciences and mathematics  Theoretical chemistry, quantum chemistry 
Keywords
stereodynamic effects, rotational effects, chemical reactions
Evaluation (rules)
source: COBISS
Researchers (3)
no. Code Name and surname Research area Role Period No. of publicationsNo. of publications
1.  02286  PhD Branimir Borštnik  Chemistry  Researcher  1998 - 2001  152 
2.  08611  PhD Janez Mavri  Chemistry  Researcher  1998 - 2001  367 
3.  09776  PhD Adolf Miklavc  Chemistry  Head  1998 - 2001  102 
Organisations (1)
no. Code Research organisation City Registration number No. of publicationsNo. of publications
1.  0104  National Institute of Chemistry  Ljubljana  5051592000  20,878 
Abstract
Large steric effects found in recent work on dissociation of polyatomic ligand will be further investigated and a similar analysis carried out for vibrational predissociation of triatomic complexes where the theory could be tested by comparison with the experimental data and accurate quantum mechanical calculation. The implementation of the same method to study steric and rotational effects in chemical reactions will also be investigated. On the basis of these results interpretation will be sought of the observed binding and dissociation properties of several biologically important ligands and of some recent results in the field of microwave catalysis.
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