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This monograph systematises the results of quantum chemical
calculations of complex compositions, participating in processes of
cationic polymerisation of olefins. The analysis of the calculated
data according to experimental results was performed in order to
explain the character of the complex behaviour on the stages of
process initiation and chain growth.
This book is one of many volumes which presents current research in
the study of quantum-chemical calculations of various molecular
systems. The research results presented suggest that the
development of nanotechnologies will offer new and more effective
advancements for the improvement of penicillins, vitamins and
catalysts. The results of quantum-chemical calculations of various
molecular systems presented here are the first step toward the
development of new nanotechnologies.
This book is one of many volumes which presents current research in
the study of quantum-chemical calculations of various molecular
systems. The research results presented suggest that the
development of nanotechnologies will offer new and more effective
advancements for the improvement of penicillins, vitamins and
catalysts. The results of quantum-chemical calculations of various
molecular systems presented here are the first step toward the
development of new nanotechnologies.
This book presents current research in the study of
quantum-chemical calculations of various molecular systems. The
research results presented suggest that the development of
nanotechnologies will offer new and more effect advancements for
the improvement of penicillins, vitamins and catalysts. The results
of quantum-chemical calculations of various molecular systems
presented here are the first step toward the development of new
nanotechnologies.
This book presents current research in the study of
quantum-chemical calculations of various molecular systems. The
research results presented suggest that the development of
nanotechnologies will offer new and more effect advancements for
the improvement of penicillins, vitamins and catalysts. The results
of quantum-chemical calculations of various molecular systems
presented here are the first step toward the development of new
nanotechnologies.
This book presents current research in the study of
quantum-chemical calculations of various molecular systems. The
research results presented suggest that the development of
nanotechnologies will offer new and more effect advancements for
the improvement of penicillins, vitamins and catalysts. The results
of quantum-chemical calculations of various molecular systems
presented here are the first step toward the development of new
nanotechnologies.
This book presents current research in the study of
quantum-chemical calculations of various molecular systems. The
research results presented suggest that the development of
nanotechnologies will offer new and more effect advancements for
the improvement of penicillins, vitamins and catalysts. The results
of quantum-chemical calculations of various molecular systems
presented here are the first step toward the development of new
nanotechnologies.
This book presents research results on the quantum-chemical
calculation of linear olefins of cationic polymerisation (a
geometrical and electronic structure, the general and electronic
energy, distribution of charges to atoms and so forth). In
addition, acid force of these monomers is theorised. The book is
intended for science officers, competitors, post-graduate students
and persona working for a doctorate degree in the field of polymer
chemistry.
This book is one of many volumes which presents current research in
the study of quantum-chemical calculations of various molecular
systems. The research results presented suggest that the
development of nanotechnologies will offer new and more effective
advancements for the improvement of penicillins, vitamins and
catalysts. The results of quantum-chemical calculations of various
molecular systems presented here are the first step toward the
development of new nanotechnologies.
The calculation of traditional fluorine-containing (F2, OF2, N2F4,
ClO3F, ClF5, ClF3) and oxygen-containing (OF2, O2, H2O2, N2O4,
HNO3, ClO3F) oxidisers of differential fuels has been performed by
the different classical semi-empirical quantum-chemical methods
(CNDO, CNDO/2, MNDO, AM1, PM3) and ?B-INITIO in the many principal
basis-sets optimising the all geometric parameters. It is shown,
the high correlative dependencies between the burn parameters of
the differential fuels (H2, N2H4, H2N2(CH3)2, CH2, AlH3, B5H9,
BeH2) and calculated values of quantum-chemical parameters of the
fluorine-containing (oxygencontaining) oxidisers exist in the form
of Ip is specific impulse of pressure, P1 is specific traction in
atmosphere, Pi is specific traction in vacuum, depending on Qfmin
is minimum electronic charge on fluorine atom (Qfmin is the minimum
electronic charge on oxygen atom). The authors performed
comparative analysis of results of the quantum-chemical
semi-empirical and ab-initio calculations for different fuels. The
simple interpretation and illustration of the physical nature of
these correlative dependencies are offered. The authors established
the technique of theoretical estimation of the burn parameters of
oxidisers of the differential fuels, that may be used to look for
new more efficient non-pollution oxidisers.
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