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Molecular orbitals /

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Molecular orbitals // Pierpaolo Morgante & Jochen Autschbach.
作者:	Morgante, Pierpaolo,
其他作者:	Autschbach, Jochen
面頁冊數:	1 online resource :illustrations (some color). :
標題:	Physical organic chemistry. -
電子資源:	http://dx.doi.org/10.1021/acsinfocus.7e7002
ISBN:	9780841299559

Molecular orbitals /
Morgante, Pierpaolo,

Molecular orbitals /Pierpaolo Morgante & Jochen Autschbach. - 1 online resource :illustrations (some color). - ACS in focus,2691-8307. - ACS in focus..

Includes bibliographical references and index.

What Are Electron Orbitals? --

"Electron orbitals of molecules, or molecular orbitals (MOs), are ubiquitous in chemistry. It is difficult to imagine modern research in chemistry, materials chemistry, chemical engineering, and related fields-in the broader sense-without the insight that is offered by the description of electronic structure in terms of atomic and molecular orbitals. Despite its importance, orbital theory, and MO theory, in particular, is not always taught rigorously in the chemistry curriculum. This primer is meant to introduce the aspiring chemist to the ideas underlying MO theory, to make it clear what MOs are and what they are not, and to showcase selected qualitative and quantitative applications of MO theory with a strong emphasis on the visualization of orbitals."--

ISBN: 9780841299559

Standard No.: 10.1021/acsinfocus.7e7002doiSubjects--Topical Terms:

1437887
Physical organic chemistry.
Index Terms--Genre/Form:

554714
Electronic books.

LC Class. No.: QD461 / .M676 2023eb

Dewey Class. No.: 514.224

Molecular orbitals /
LDR:02213nam a2200289 i 4500 001 1121969
003 DACS
005 20230417120313.0
008 240828s2023 dcua ob 101 0 eng d
020 $a 9780841299559 $q electronic
024 7 $a 10.1021/acsinfocus.7e7002 $2 doi
035 $a (CaBNVSL)slc00004238
035 $a 9780841299559
040 $a NjRocCCS $b eng $e rda $c NjRocCCS $d CaBNVSL
050 4 $a QD461 $b .M676 2023eb
082 0 4 $a 514.224 $2 23
100 1 $a Morgante, Pierpaolo, $e author. $u University of Buffalo. $3 1437883
245 1 0 $a Molecular orbitals / $c Pierpaolo Morgante & Jochen Autschbach.
264 1 $a Washington, DC, USA : $b American Chemical Society, $c 2023.
300 $a 1 online resource : $b illustrations (some color).
336 $a text $2 rdacontent
337 $a computer $2 rdamedia
338 $a online resource $2 rdacarrier
490 1 $a ACS in focus, $x 2691-8307
504 $a Includes bibliographical references and index.
505 0 0 $t What Are Electron Orbitals? -- $t Wavefunctions and Electron Probabilities -- $t Calculation of Orbitals -- $t Visualization of Orbitals -- $t Canonical vs. Localized Molecular Orbitals -- $t Avoiding Common Misconceptions about Orbitals -- $t Selected Applications -- $t Atomic Orbital Basis Functions -- $t Software & Settings Used for the Examples -- $t Nomenclature -- $t Acronyms -- $t Greek Symbols and Their Use in the Text.
520 $a "Electron orbitals of molecules, or molecular orbitals (MOs), are ubiquitous in chemistry. It is difficult to imagine modern research in chemistry, materials chemistry, chemical engineering, and related fields-in the broader sense-without the insight that is offered by the description of electronic structure in terms of atomic and molecular orbitals. Despite its importance, orbital theory, and MO theory, in particular, is not always taught rigorously in the chemistry curriculum. This primer is meant to introduce the aspiring chemist to the ideas underlying MO theory, to make it clear what MOs are and what they are not, and to showcase selected qualitative and quantitative applications of MO theory with a strong emphasis on the visualization of orbitals."-- $c Provided by publisher.
590 $a American Chemical Society, Molecular Orbitals eBooks - 2023 Front Files.
650 0 $a Physical organic chemistry. $3 1437887
650 0 $a Molecular orbitals. $3 997229
655 0 $a Electronic books. $2 local $3 554714
700 1 $a Autschbach, Jochen $e author. $3 1437885
700 1 $a Autschbach, Jochen, $e author. $u University of Buffalo. $3 1437884
710 2 $a American Chemical Society. $3 1436935
830 0 $a ACS in focus. $x 2691-8307. $3 1437886
856 4 $u http://dx.doi.org/10.1021/acsinfocus.7e7002