Titre :	Molecular orbitals in chemistry, physics, and biology : A tribute to R. S. Mulliken
Type de document :	texte imprimé
Auteurs :	Per-Olov Lowdin, Éditeur scientifique ; Bernard Pullman, Éditeur scientifique
Editeur :	New-York : Academic Press
Année de publication :	1964
Importance :	xiii, 578 p.
Langues :	Anglais (eng)
Catégories :	Chimie théorique
Tags :	MOLECULAR ORBITALS  BIOPHYSICS
Note de contenu :	"R.S. Mulliken - his work and influence on Quantum chemistry; Robert Mulliken of Newburyport; Recent advances in the Quantum mechanicla calculation of the properties of molecules; Molecular orbitals in the exact SCF theory; Self-consistent field methods for open-shell molecules; The self-consistent field molecular orbital theory: an elementary approach; The symmetry groups of nonrigid molecules; Group theory and the molecular orbital method; Rydberg orbitals and energies H2*; The molecular orbital interpretation of bond-lenght changes following excitation and ionization of diatomic molecules; An explanation of Walsh's rules using united-atom molecular-orbitals; The structure of methylene and methyl; Two center electron interaction energies; The nature of the two-lectron chemical bond. VI natural oribtal analysis for HeH+; Electronic structure and absorption spectra of the nitrate ion; A study of CI- and HCI by a factorization technique of density matrix in the SCF LCAO-MO method; Energy calculations for polyatomic carbon molecules; Rotational structure of the fundamental band vs of methyl cyanide; The self-consistent generalization of Huckel theory; The resonance formulation of electronically excited pi-electron states; A general shceme for the determination semiempirical parameters in the molecular orbital theory of conjugated systems; Resonance among molecular orbital configurations; Electron correlation in pi-electron systems; Self-consistent equations ofr localized orbitals in polyatomic systems; pi-electronconjugation in some polyphenyl molecules; The alternant molecular orbital method and the correlation problem; Molecular orbital calculations and the aromaticity of some nonbenzenoid aromatic hydrocarbons; On the scaling factor for MO calculated spectral intensities; Application of the molecular orbitals to the study of the base strengh; Molecular orbital calculations and electrophilic substitution; A simple quantum-theoretical interpretation of the chemical reactivity of organic compounds; A formal theory of Rydberg series of molecules; pi-molecular orbitals and the process of life. Index"
Cote :	B-H022 (SdS)
Num_Inv :	401

Molecular orbitals in chemistry, physics, and biology : A tribute to R. S. Mulliken [texte imprimé] / Per-Olov Lowdin, Éditeur scientifique ; Bernard Pullman, Éditeur scientifique . - New-York : Academic Press, 1964 . - xiii, 578 p.
Langues : Anglais (eng)

Catégories :	Chimie théorique
Tags :	MOLECULAR ORBITALS  BIOPHYSICS
Note de contenu :	"R.S. Mulliken - his work and influence on Quantum chemistry; Robert Mulliken of Newburyport; Recent advances in the Quantum mechanicla calculation of the properties of molecules; Molecular orbitals in the exact SCF theory; Self-consistent field methods for open-shell molecules; The self-consistent field molecular orbital theory: an elementary approach; The symmetry groups of nonrigid molecules; Group theory and the molecular orbital method; Rydberg orbitals and energies H2*; The molecular orbital interpretation of bond-lenght changes following excitation and ionization of diatomic molecules; An explanation of Walsh's rules using united-atom molecular-orbitals; The structure of methylene and methyl; Two center electron interaction energies; The nature of the two-lectron chemical bond. VI natural oribtal analysis for HeH+; Electronic structure and absorption spectra of the nitrate ion; A study of CI- and HCI by a factorization technique of density matrix in the SCF LCAO-MO method; Energy calculations for polyatomic carbon molecules; Rotational structure of the fundamental band vs of methyl cyanide; The self-consistent generalization of Huckel theory; The resonance formulation of electronically excited pi-electron states; A general shceme for the determination semiempirical parameters in the molecular orbital theory of conjugated systems; Resonance among molecular orbital configurations; Electron correlation in pi-electron systems; Self-consistent equations ofr localized orbitals in polyatomic systems; pi-electronconjugation in some polyphenyl molecules; The alternant molecular orbital method and the correlation problem; Molecular orbital calculations and the aromaticity of some nonbenzenoid aromatic hydrocarbons; On the scaling factor for MO calculated spectral intensities; Application of the molecular orbitals to the study of the base strengh; Molecular orbital calculations and electrophilic substitution; A simple quantum-theoretical interpretation of the chemical reactivity of organic compounds; A formal theory of Rydberg series of molecules; pi-molecular orbitals and the process of life. Index"
Cote :	B-H022 (SdS)
Num_Inv :	401