コンテンツへ移動
Molecular modeling of inorganic compounds 資料のプレビュー
閉じる資料のプレビュー
確認中…

Molecular modeling of inorganic compounds

著者: Peter Comba; Trevor W Hambley; Bodo Martin
出版: Weinheim [Germany] : Wiley-VCH, 2009.
エディション/フォーマット:   書籍 : CD for computer : English : 3rd completely rev. and enl. edすべてのエディションとフォーマットを見る
データベース:WorldCat
概要:
Molecular modeling is a well-established and powerful tool for the investigation of complex structures. This text shows how this method can be applied to inorganic and coordination compounds.
評価:

(まだ評価がありません) 0 件のレビュー - まずはあなたから!

件名
関連情報

 

オフラインで入手

&AllPage.SpinnerRetrieving; この資料の所蔵館を検索中…

詳細

ドキュメントの種類: 図書
すべての著者/寄与者: Peter Comba; Trevor W Hambley; Bodo Martin
ISBN: 9783527317998 3527317996
OCLC No.: 436259918
形態 xviii, 326 p. : ill. ; 25 cm. + 1 CD-ROM (4 3/4 in.).
コンテンツ: pt. 1. Theory. Introduction --
Molecular modeling methods in brief --
Parameterization, approximations and limitations of molecular mechanics --
Computation --
The multiple minima problem --
Conclusions --
pt. 2. Applications. Structural aspects --
Stereoselectivities --
Metal ion selectivity --
Spectroscopy --
Electron transfer --
Electronic effects --
Bioinorganic chemistry --
Organometallics --
Compounds with s-, p-, and f-block elements --
pt. 3. Practice of molecular mechanics. The model, the rules, and the pitfalls --
Tutorial.
責任者: Peter Comba, Trevor W. Hambley and Bodo Martin.

概要:

This third, completely revised edition expands on DFT and offers unique practice in applying it with molecular mechanics calculations. The interactive tutorial uses the latest software, which is  続きを読む

レビュー

編集者のレビュー

出版社によるあらすじ

"The authors take special care to highlight the possible pitfalls and offer advice on how to avoid them. Therefore, this book will be invaluable to anyone working in or entering the field." (Current 続きを読む

 
ユーザーレビュー
GoodReadsのレビューを取得中…
DOGObooksのレビューを取得中…

タグ

すべてのユーザーのタグ (1)

人気のタグを表示: タグリスト | タグクラウド

リクエストの確認

あなたは既にこの資料をリクエストしている可能性があります。このリクエストを続行してよろしければ、OK を選択してください。

リンクデータ


<http://www.worldcat.org/oclc/436259918>
library:oclcnum"436259918"
library:placeOfPublication
library:placeOfPublication
owl:sameAs<info:oclcnum/436259918>
rdf:typej.1:Compact_Disc
rdf:typeschema:Book
rdfs:seeAlso
schema:about
rdf:typeschema:Intangible
schema:name"Stickstoffverbindungen."
schema:about
schema:about
schema:about
schema:about
schema:about
schema:about
schema:about
schema:author
schema:bookEdition"3rd completely rev. and enl. ed."
schema:contributor
schema:contributor
schema:datePublished"2009"
schema:description"Molecular modeling is a well-established and powerful tool for the investigation of complex structures. This text shows how this method can be applied to inorganic and coordination compounds."
schema:description"pt. 1. Theory. Introduction -- Molecular modeling methods in brief -- Parameterization, approximations and limitations of molecular mechanics -- Computation -- The multiple minima problem -- Conclusions -- pt. 2. Applications. Structural aspects -- Stereoselectivities -- Metal ion selectivity -- Spectroscopy -- Electron transfer -- Electronic effects -- Bioinorganic chemistry -- Organometallics -- Compounds with s-, p-, and f-block elements -- pt. 3. Practice of molecular mechanics. The model, the rules, and the pitfalls -- Tutorial."
schema:exampleOfWork<http://worldcat.org/entity/work/id/1916091>
schema:inLanguage"en"
schema:name"Molecular modeling of inorganic compounds"
schema:numberOfPages"326"
schema:publisher
schema:workExample
schema:workExample
umbel:isLike<http://bnb.data.bl.uk/id/resource/GBA791366>

Content-negotiable representations

ウインドウを閉じる

WorldCatにログインしてください 

アカウントをお持ちではないですか?簡単に 無料アカウントを作成することができます。.