Titre de série :	Structure and Bonding
Titre :	Vol.167 : Structure and modeling of complex petroleum mixtures
Type de document :	texte imprimé
Auteurs :	Macgregor, Stuart A., Éditeur scientifique ; Eisenstein, Odile, Éditeur scientifique
Editeur :	Berlin, Heidelberg : Springer
Année de publication :	2016
Collection :	Structure and Bonding, ISSN 0081-5993 num. 167
Importance :	vii, 181 p.
Format :	24 cm
ISBN/ISSN/EAN :	978-3-319-31638-3
Langues :	Anglais (eng)
Note de contenu :	"* Modelling and rationalizing organometallic chemistry with computation: where are we? * Reactivities and electronic properties of boryl ligands * QM/MM calculations on selectivity in homogeneous catalysis * Realistic simulation of organometallic reactivity in solution by means of first-principles molecular dynamics * Computation of excited states of transition metal complexes * d10-ML2 complexes: structure, bonding, and catalytic activity * The electronics of CH activation by energy decomposition analysis: from transition metals to main-group metals."
Cote :	EXCLU (SdL)
Num_Inv :	3408

Structure and Bonding. Vol.167 : Structure and modeling of complex petroleum mixtures [texte imprimé] / Macgregor, Stuart A., Éditeur scientifique ; Eisenstein, Odile, Éditeur scientifique . - Berlin, Heidelberg : Springer, 2016 . - vii, 181 p. ; 24 cm. - (Structure and Bonding, ISSN 0081-5993; 167) .
ISBN : 978-3-319-31638-3
Langues : Anglais (eng)

Note de contenu :	"* Modelling and rationalizing organometallic chemistry with computation: where are we? * Reactivities and electronic properties of boryl ligands * QM/MM calculations on selectivity in homogeneous catalysis * Realistic simulation of organometallic reactivity in solution by means of first-principles molecular dynamics * Computation of excited states of transition metal complexes * d10-ML2 complexes: structure, bonding, and catalytic activity * The electronics of CH activation by energy decomposition analysis: from transition metals to main-group metals."
Cote :	EXCLU (SdL)
Num_Inv :	3408