Rozhenko O. Weak interactions in organic and organoelement compounds: quantum chemical modeling

Українська версія

Thesis for the degree of Doctor of Science (DSc)

State registration number

0514U000499

Thesis Registration Form

0514U000499.pdf

Applicant for

Specialization

  • 02.00.03 - Органічна хімія
  • 02.00.08 - Хімія елементоорганічних сполук

26-06-2014

Specialized Academic Board

Д 26.217.01

Institute of Organic Chemistry NAS of Ukraine

Essay

The thesis is devoted to quantum-chemical study of weak interactions in organic and organo-element compounds. The limits and restrictions on the use of modern quantum-chemical methods for the study of adducts based on hydrogen bonding, donor-acceptor, cation -, , anion -, , dispersion interactions, conjugation effects and interactions of molecules with the magnetic field (NMR spectroscopy). These calculations are in good agreement with the experimental results, both taken from the literature and the own ones.

Read more

Files

aref.doc

dis.doc

dis.doc

Similar theses

0424U000010

Volodymyr V. Burianov

Development of new catalytic systems for efficient heterogeneous hydrogenation of quinoline derivatives

0423U100213

Basil I. Shupeniuk

Synthesis and properties of triazenes based on 4-substituted 9,10-anthracenedione derivatives

0421U103476

Gaidarzhy Ivan I.

Synthesis and properties of aliphatic perfluoroalkoxyalkylamines and perfluoroalkoxybenzoic acids

0421U102526

Yakymenko Ihor Yu.

Reactions of arylsulfonyl derivatives of quinonymines with nucleophiles

0521U101480

Svjatenko Ludmila K.

Reactivity of nitroaromatic compounds and cyclic nitroamines. Quantum-chemical modeling