skip to content
Elements of Quantum Chemistry Preview this item
ClosePreview this item
Checking...

Elements of Quantum Chemistry

Author: Rudolf Zahradník; Rudolf Polák
Publisher: Boston, MA : Springer US, 1981.
Edition/Format:   eBook : Bibliographic data : EnglishView all editions and formats
Summary:

The post-war generation of chemists learned to handle a blow pipe at the university as thoroughly as modern chemistry students learn to write computer programmes.

Rating:

(not yet rated) 0 with reviews - Be the first.

Subjects
More like this

 

Find a copy online

Links to this item

Find a copy in the library

&AllPage.SpinnerRetrieving; Finding libraries that hold this item...

Details

Genre/Form: Electronic books
Additional Physical Format: Printed edition:
Material Type: Bibliographic data, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Rudolf Zahradník; Rudolf Polák
ISBN: 9781461339212 1461339219 9781461339236 1461339235
OCLC Number: 840282598
Description: 1 online resource (462 pages)
Contents: 1. Introduction --
2. A brief comment on the development of the theory of the chemical bond --
3. The time-independent Schrödinger equation --
3.1 Introduction of the equation --
3.2 Formulation of the Schrödinger equation for simple systems --
3.3 Examples of the solution of the Schrödinger equation --
References --
4. Mathematics and logic of quantum mechanics --
4.1 Linear operators and their properties --
4.2 Axiomatic foundation of quantum mechanics --
4.3 Consequences of the axiomatic system --
4.4 Constants of motion. The Pauli principle --
4.5 Matrix representation of operators and operations with matrices --
4.6 Approximate solution of the Schrödinger equation: variation and perturbation methods --
References --
5. Basic approximations in the theory of the chemical bond --
5.1 Introductory comments --
5.2 Neglecting of non-electrostatic interactions --
5.3 The Born-Oppenheimer and adiabatic approximations --
5.4 The method of configuration interaction --
5.5 The independent electron model (one-electron approximation) --
5.6 The method of molecular orbitals as linear combinations of atomic orbitals --
References --
6. Symmetry in quantum chemistry --
6.1 Introduction --
6.2 Symmetry transformations of the Hamiltonian --
6.3 The principal symmetry groups and their notation --
6.4 Matrix representation of symmetry groups --
6.5 Selection rules for matrix elements --
6.6 Symmetry and hybrid orbitals --
6.7 Spin and spatial symmetry of many-electron systems --
6.8 Perturbation treatment for symmetrical systems --
References --
7. Atomic orbitals (AO) and molecular orbitals (MO) --
7.1 The significance of hydrogen type orbitals; atomic orbitals --
7.2 Hybridization --
7.3 Molecular orbitals --
References --
8. Many-electron atoms --
8.1 The one-electron approximation and the periodic system of the elements --
8.2 The total angular momentum --
References --
9. Diatomic molecules --
9.1 Introductory comments; the hydrogen molecular ion, H2+ --
9.2 The H2 molecule --
9.3 Calculation of the molecular integrals --
9.4 General diatomic molecules and correlation diagrams --
References --
10. Calculation methods in the theory of the chemical bond --
10.1 Introductory remarks --
10.2 All-valence electron MO-LCAO methods --
10.3?-Electron theory --
10.4 The FE-MO method --
10.5 Valence bond theory (VB method) --
10.6 The crystal field and ligand field theories --
References --
11. Use of the solution to the Schrödinger equation --
11.1 Quantities related to the molecular energy (the total electron energy, ionization potential, electron affinity, excitation energy) --
11.2 Quantities derived from the wave function --
References --
12. Examples of the study of polyatomic molecules --
12.1 Introductory comments --
12.2 Inorganic compounds --
12.3 Organic compounds --
12.4 Examples of systems studied in biochemistry --
References --
13. Molecular spectroscopy --
13.1 Phenomenological description --
13.2 Excitation within a single electronic level --
13.3 Excitation within the framework of several electronic levels --
References --
14. Magnetic properties of molecules --
References --
15. Thermochemical properties and molecular stability --
15.1 Heats of formation and atomization --
15.2 Delocalization energies of conjugated compounds --
15.3 Stabilization of coordination compounds --
Reference --
16. Chemical reactivity --
16.1 Introductory comments --
16.2 Empirical approach --
16.3 Theoretical approach --
16.4 Calculations of relative equilibrium and rate constants --
16.5 Compromise approach: the quantum chemical treatment --
References --
17. Weak interactions --
17.1 Introduction --
17.2 van der Waals interaction between a pair of linear oscillators --
17.3 Various means of calculating intermolecular interaction energies --
17.4 Application of weak interactions from the point of view of physical chemistry --
References.
Responsibility: by Rudolf Zahradník, Rudolf Polák.

Reviews

User-contributed reviews
Retrieving GoodReads reviews...
Retrieving DOGObooks reviews...

Tags

Be the first.

Similar Items

Confirm this request

You may have already requested this item. Please select Ok if you would like to proceed with this request anyway.

Linked Data


Primary Entity

<http://www.worldcat.org/oclc/840282598> # Elements of Quantum Chemistry
    a schema:CreativeWork, schema:Book ;
   library:oclcnum "840282598" ;
   library:placeOfPublication <http://experiment.worldcat.org/entity/work/data/42811103#Place/boston_ma> ; # Boston, MA
   library:placeOfPublication <http://id.loc.gov/vocabulary/countries/mau> ;
   rdfs:comment "Unknown 'gen' value: bdt" ;
   schema:about <http://id.worldcat.org/fast/1715687> ; # Physical organic chemistry
   schema:about <http://dewey.info/class/541/e23/> ;
   schema:about <http://id.worldcat.org/fast/853344> ; # Chemistry
   schema:bookFormat schema:EBook ;
   schema:contributor <http://viaf.org/viaf/93284418> ; # Rudolf Polák
   schema:creator <http://viaf.org/viaf/79084987> ; # Rudolf Zahradník
   schema:datePublished "1981" ;
   schema:description "1. Introduction -- 2. A brief comment on the development of the theory of the chemical bond -- 3. The time-independent Schrödinger equation -- 3.1 Introduction of the equation -- 3.2 Formulation of the Schrödinger equation for simple systems -- 3.3 Examples of the solution of the Schrödinger equation -- References -- 4. Mathematics and logic of quantum mechanics -- 4.1 Linear operators and their properties -- 4.2 Axiomatic foundation of quantum mechanics -- 4.3 Consequences of the axiomatic system -- 4.4 Constants of motion. The Pauli principle -- 4.5 Matrix representation of operators and operations with matrices -- 4.6 Approximate solution of the Schrödinger equation: variation and perturbation methods -- References -- 5. Basic approximations in the theory of the chemical bond -- 5.1 Introductory comments -- 5.2 Neglecting of non-electrostatic interactions -- 5.3 The Born-Oppenheimer and adiabatic approximations -- 5.4 The method of configuration interaction -- 5.5 The independent electron model (one-electron approximation) -- 5.6 The method of molecular orbitals as linear combinations of atomic orbitals -- References -- 6. Symmetry in quantum chemistry -- 6.1 Introduction -- 6.2 Symmetry transformations of the Hamiltonian -- 6.3 The principal symmetry groups and their notation -- 6.4 Matrix representation of symmetry groups -- 6.5 Selection rules for matrix elements -- 6.6 Symmetry and hybrid orbitals -- 6.7 Spin and spatial symmetry of many-electron systems -- 6.8 Perturbation treatment for symmetrical systems -- References -- 7. Atomic orbitals (AO) and molecular orbitals (MO) -- 7.1 The significance of hydrogen type orbitals; atomic orbitals -- 7.2 Hybridization -- 7.3 Molecular orbitals -- References -- 8. Many-electron atoms -- 8.1 The one-electron approximation and the periodic system of the elements -- 8.2 The total angular momentum -- References -- 9. Diatomic molecules -- 9.1 Introductory comments; the hydrogen molecular ion, H2+ -- 9.2 The H2 molecule -- 9.3 Calculation of the molecular integrals -- 9.4 General diatomic molecules and correlation diagrams -- References -- 10. Calculation methods in the theory of the chemical bond -- 10.1 Introductory remarks -- 10.2 All-valence electron MO-LCAO methods -- 10.3?-Electron theory -- 10.4 The FE-MO method -- 10.5 Valence bond theory (VB method) -- 10.6 The crystal field and ligand field theories -- References -- 11. Use of the solution to the Schrödinger equation -- 11.1 Quantities related to the molecular energy (the total electron energy, ionization potential, electron affinity, excitation energy) -- 11.2 Quantities derived from the wave function -- References -- 12. Examples of the study of polyatomic molecules -- 12.1 Introductory comments -- 12.2 Inorganic compounds -- 12.3 Organic compounds -- 12.4 Examples of systems studied in biochemistry -- References -- 13. Molecular spectroscopy -- 13.1 Phenomenological description -- 13.2 Excitation within a single electronic level -- 13.3 Excitation within the framework of several electronic levels -- References -- 14. Magnetic properties of molecules -- References -- 15. Thermochemical properties and molecular stability -- 15.1 Heats of formation and atomization -- 15.2 Delocalization energies of conjugated compounds -- 15.3 Stabilization of coordination compounds -- Reference -- 16. Chemical reactivity -- 16.1 Introductory comments -- 16.2 Empirical approach -- 16.3 Theoretical approach -- 16.4 Calculations of relative equilibrium and rate constants -- 16.5 Compromise approach: the quantum chemical treatment -- References -- 17. Weak interactions -- 17.1 Introduction -- 17.2 van der Waals interaction between a pair of linear oscillators -- 17.3 Various means of calculating intermolecular interaction energies -- 17.4 Application of weak interactions from the point of view of physical chemistry -- References."@en ;
   schema:exampleOfWork <http://worldcat.org/entity/work/id/42811103> ;
   schema:genre "Electronic books"@en ;
   schema:inLanguage "en" ;
   schema:isSimilarTo <http://worldcat.org/entity/work/data/42811103#CreativeWork/> ;
   schema:name "Elements of Quantum Chemistry"@en ;
   schema:productID "840282598" ;
   schema:publication <http://www.worldcat.org/title/-/oclc/840282598#PublicationEvent/boston_ma_springer_us_1981> ;
   schema:publisher <http://experiment.worldcat.org/entity/work/data/42811103#Agent/springer_us> ; # Springer US
   schema:url <http://dx.doi.org/10.1007/978-1-4613-3921-2> ;
   schema:workExample <http://worldcat.org/isbn/9781461339236> ;
   schema:workExample <http://worldcat.org/isbn/9781461339212> ;
   schema:workExample <http://dx.doi.org/10.1007/978-1-4613-3921-2> ;
   wdrs:describedby <http://www.worldcat.org/title/-/oclc/840282598> ;
    .


Related Entities

<http://id.worldcat.org/fast/1715687> # Physical organic chemistry
    a schema:Intangible ;
   schema:name "Physical organic chemistry"@en ;
    .

<http://id.worldcat.org/fast/853344> # Chemistry
    a schema:Intangible ;
   schema:name "Chemistry"@en ;
    .

<http://viaf.org/viaf/79084987> # Rudolf Zahradník
    a schema:Person ;
   schema:familyName "Zahradník" ;
   schema:givenName "Rudolf" ;
   schema:name "Rudolf Zahradník" ;
    .

<http://viaf.org/viaf/93284418> # Rudolf Polák
    a schema:Person ;
   schema:familyName "Polák" ;
   schema:givenName "Rudolf" ;
   schema:name "Rudolf Polák" ;
    .

<http://worldcat.org/isbn/9781461339212>
    a schema:ProductModel ;
   schema:isbn "1461339219" ;
   schema:isbn "9781461339212" ;
    .

<http://worldcat.org/isbn/9781461339236>
    a schema:ProductModel ;
   schema:isbn "1461339235" ;
   schema:isbn "9781461339236" ;
    .


Content-negotiable representations

Close Window

Please sign in to WorldCat 

Don't have an account? You can easily create a free account.