2 recherche sur le tag 'THEORETICAL CHEMISTRY'   

Atoms in molecules / Paul L. A. Popelier

Public ISBD Titre : Atoms in molecules : an introduction Type de document : texte imprimé Auteurs : Paul L. A. Popelier Editeur : Harlow : Prentice Hall Année de publication : 2000 Importance : xiii, 164 p. Présentation : [2] p. of plates, ill. Format : 24 cm ISBN/ISSN/EAN : 978-0-582-36798-2 Langues : Anglais (eng) Catégories : Chimie théorique Tags : PHYSICAL CHEMISTRY  THEORETICAL CHEMISTRY  CHEMICAL BONDS  MOLECULES-Models Index. décimale : B-H Résumé : "Atoms in Molecules (AIM) is a powerful and novel theory for understanding chemistry, acting as a bridge between fundamental chemical concepts - such as the atom, the bond and molecular structure - and quantum mechanics. It is used increasingly in both theoretical and crystallographic research internationally, including its use in interpreting experimental charge densities. This book provides a balanced, consistent and didactic account of this exciting theory, explaining its potential impact and making it accessible to a wide audience." Cote : B-H067 (SdS) Num_Inv : 3022 Atoms in molecules : an introduction [texte imprimé] / Paul L. A. Popelier . - Harlow : Prentice Hall, 2000 . - xiii, 164 p. : [2] p. of plates, ill. ; 24 cm. ISBN : 978-0-582-36798-2 Langues : Anglais (eng) Catégories : Chimie théorique Tags : PHYSICAL CHEMISTRY  THEORETICAL CHEMISTRY  CHEMICAL BONDS  MOLECULES-Models Index. décimale : B-H Résumé : "Atoms in Molecules (AIM) is a powerful and novel theory for understanding chemistry, acting as a bridge between fundamental chemical concepts - such as the atom, the bond and molecular structure - and quantum mechanics. It is used increasingly in both theoretical and crystallographic research internationally, including its use in interpreting experimental charge densities. This book provides a balanced, consistent and didactic account of this exciting theory, explaining its potential impact and making it accessible to a wide audience." Cote : B-H067 (SdS) Num_Inv : 3022

Exemplaires(3)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
3022	B-H067	Texte imprimé	Bibliothèque	Livre	Disponible
2417	LCC/A	Texte imprimé	Equipe	Livre	Disponible
2624	LCC/P	Texte imprimé	Equipe	Livre	Equipe - Demande préalable Disponible

Oxidation numbers and oxidation states / C.K. Jorgensen

Public ISBD Titre : Oxidation numbers and oxidation states Type de document : texte imprimé Auteurs : C.K. Jorgensen Editeur : Berlin : Springer Année de publication : 1969 Importance : 291 p. ISBN/ISSN/EAN : 978-3-642-87760-5 Langues : Anglais (eng) Catégories : Chimie : Généralités Tags : THEORETICAL CHEMISTRY  VALENCE Index. décimale : B-A Résumé : "The correlation of spectroscopic and chemical investigations in recent years has been highly beneficial of many reasons. Around 1950, no valid explanation was available of the colours of compounds of the five tran­sition groups. Later, it was possible to identify the excited levels with those expected for an electron configuration with a definite number of electrons in the partly filled shell. It is not generally recognized that this is equivalent to determining spectroscopic oxidation states related to the preponderant electron configuration and not to estimates of the fractional atomic charges. This brings in an entirely different type of description than the formal oxidation numbers used for characterizing compounds and reaction schemes. However, it must be realized that collectively oxidized ligands, formation of cluster-complexes and catenation may prevent the oxidation state from being well-defined." Cote : B-A090 (SdS) Num_Inv : 1883 Oxidation numbers and oxidation states [texte imprimé] / C.K. Jorgensen . - Berlin : Springer, 1969 . - 291 p. ISBN : 978-3-642-87760-5 Langues : Anglais (eng) Catégories : Chimie : Généralités Tags : THEORETICAL CHEMISTRY  VALENCE Index. décimale : B-A Résumé : "The correlation of spectroscopic and chemical investigations in recent years has been highly beneficial of many reasons. Around 1950, no valid explanation was available of the colours of compounds of the five tran­sition groups. Later, it was possible to identify the excited levels with those expected for an electron configuration with a definite number of electrons in the partly filled shell. It is not generally recognized that this is equivalent to determining spectroscopic oxidation states related to the preponderant electron configuration and not to estimates of the fractional atomic charges. This brings in an entirely different type of description than the formal oxidation numbers used for characterizing compounds and reaction schemes. However, it must be realized that collectively oxidized ligands, formation of cluster-complexes and catenation may prevent the oxidation state from being well-defined." Cote : B-A090 (SdS) Num_Inv : 1883

Exemplaires(2)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
1883	B-A090	Texte imprimé	Bibliothèque	Livre	Disponible
3582	B-A090	Texte imprimé	Bibliothèque	Livre	Disponible