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Selected Topics of Crystal Structure Analysis

Code: 152800
ECTS: 5.0
Lecturers in charge: dr. sc. Krešimir Molčanov - Lectures
izv. prof. dr. sc. Vladimir Stilinović - Lectures
Take exam: Studomat
Load:

1. komponenta

Lecture typeTotal
Lectures 15
Seminar 5
* Load is given in academic hour (1 academic hour = 45 minutes)
Description:
Interpretation of molecular and crystal structure using X-ray data-accuracy of the structure: analysis of experimental and systematic errors; the effect of atomic thermal vibrations and advantage of low temperature measurements of diffraction intensities; comparative advantages of X-ray, neutron and electronic diffractions in structure determination; chirality in crystallography and absolute configuration, application of stereochemical rules in molecular conformation and absolute configuration; significance of Ramachandran plots for determination conformations of peptides and proteins; molecular packing in the crystal- the analysis of intermolecular interactions-noncovalent interactions defining crystal packing, supramolecular assembling and nanomaterials: hydrogen bonds, C-H...pi, pi...pi interactions, van der Waals and Coulomb forces; correlation of molecular and crystal structures with chemical, physical and biological properties of the molecules; molecular modelling -the goal and methods; use of databases - access to data, selectivity and critical evaluation of information, the analysis of data, interpretation of data and correlation of experimental and theoretical values.
Literature:
  1. OBVEZNA LITERATURA:
    B. Domenicano, I. Hargittai (ur.): Accurate Molecular Structures, Their Determination and Importance, International Union of Crystallography, Oxford University Press, Oxford 1992.
    H. - B. Bürgi, J. D. Dunitz (ur.): Structure Correlation, vol. 1&2, VCH, Weinheim 1994.
    A. T. Nall, K. A. Dill (ur.): Conformations and Forces in Protein Folding, American Association for the Advancement of Science, Washington D. C. 1991.
    A. M. Lesk: Protein Architecture, Oxford University Press, Oxford 1991.
    T. E. Creighton: Proteins, Structures and Molecular Properties, Freeman, New York 1993.
    U. Shmueli (ur.): International Tables for Crystallography, vol. B, Kluwer Academic Press, Dordrecht 1993.
    L. Dorset: Structural Electron Crystallography, Plenum Press, New York 1995.
    L. Dorset: Electron Crystallography, Acta Crystallogr. B52 (1996) 753 - 769.
    G. E. Bacon: Neutron Diffraction, 3. izd., Clarendon Press, Oxford 1975.
  2. DOPUNSKA LITERATURA:
    revijalni članci i znanstvene monografije
1. semester
Izborni kolegiji za smjer analitička kemija - Mandatory smjer - Analytical chemistry
Izborni kolegiji za smjer biokemija - Mandatory smjer - Biochemistry
Izborni kolegiji za smjer anorganska i strukturna kemija - Mandatory smjer - Inorganic and structural chemistry
Izborni kolegiji za smjer organska kemija - Mandatory smjer - Organic chemistry
Izborni kolegiji za smjer fizikalna kemija - Mandatory smjer - Physical chemistry

3. semester
Izborni predmeti doktorski studij kemije - Mandatory smjer - Analytical chemistry
Izborni predmeti doktorski studij kemije - Mandatory smjer - Biochemistry
Izborni predmeti doktorski studij kemije - Mandatory smjer - Inorganic and structural chemistry
Izborni predmeti doktorski studij kemije - Mandatory smjer - Organic chemistry
Izborni predmeti doktorski studij kemije - Mandatory smjer - Physical chemistry
Consultations schedule: