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pro vyhledávání: '"Lucjan Piela"'
Autor:
Lucjan Piela
Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. From the Schroedinger equation to electronic and nuclear motion to intermolecular interactions, this book covers the primary quantum u
Autor:
Lucjan Piela
Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. The structure of the book (a TREE-form) emphasizes the logical relationships between various topics, facts and methods. It shows the r
Autor:
Lucjan Piela
Two atoms or molecules may react in many different ways (reaction channels). Even if at some conditions they do not react (e.g., the noble gases), the reason for this is that their kinetic energy is too low with respect to the corresponding reaction
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5e073043690a86c4caaa523dd04100e2
https://doi.org/10.1016/b978-0-44-464248-6.00014-4
https://doi.org/10.1016/b978-0-44-464248-6.00014-4
Autor:
Lucjan Piela
Classical mechanics was unable to explain certain phenomena: black body radiation, the photoelectric effect, the stability of atoms and molecules as well as their spectra. Quantum mechanics, created mainly by Werner Heisenberg and Erwin Schrodinger,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a2771a8b71c3a9596cf1386419e023d1
https://doi.org/10.1016/b978-0-44-464246-2.00009-4
https://doi.org/10.1016/b978-0-44-464246-2.00009-4
Autor:
Lucjan Piela
We have to know how to compute wave functions. The exact wave function is definitely out of reach; therefore in this chapter we will learn how to calculate its approximations.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3b4a99c065e9e2cf5d3d312012bb2c56
https://doi.org/10.1016/b978-0-44-464246-2.00013-6
https://doi.org/10.1016/b978-0-44-464246-2.00013-6
Autor:
Lucjan Piela
The greater the velocity of an object, the greater the errors in Newton dynamics. Electrons have greater velocity when close to nuclei of large electric charge. This is why relativistic corrections may turn out to be important for heavy elements. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d5ba44545aa6e3d69e8b91a6294b0477
https://doi.org/10.1016/b978-0-44-464246-2.00011-2
https://doi.org/10.1016/b978-0-44-464246-2.00011-2
Autor:
Lucjan Piela
In the Hartree–Fock method electrons of opposite spins do not correlate their motion, which in some cases leads to wrong results. In this chapter we include this correlation, while organizing the material into four logically distinct parts: • var
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b3325b36c35214e9b0829edd79669d8c
https://doi.org/10.1016/b978-0-44-464248-6.00010-7
https://doi.org/10.1016/b978-0-44-464248-6.00010-7
Autor:
Lucjan Piela
The spatial three-dimensional structure of molecules in atomic resolution represents the most important information, which decides about chemical and physical properties of substances. Such key information is offered only by a few experimental method
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d2fd6ec992deeb1cb4315c16eadcbcb9
https://doi.org/10.1016/b978-0-44-464246-2.00015-x
https://doi.org/10.1016/b978-0-44-464246-2.00015-x