Ab initio CI study and vibronic analysis of the photoelectron spectra of formaldoxime

JP Dognon, C Pouchan, A Dargelos, JP Flament - Chemical physics letters, 1984 - Elsevier
The photoelectron spectrum of formaldoximie, CH 2 NOH, has been re-investigated with
higher resolution and interpreted by, means of ab initio SCF Cl calculations. Calculations …

[PDF][PDF] X-ray spectra and electronic structure of the CH3OH molecule

VD Yumatov, AV Okotrub, LN Mazalov… - Journal of Structural …, 1985 - researchgate.net
The electronic structure of the methanol molecule has been studied by many authors. One of
the first papers where an interpretation of the MO was given is the paper by Mulllken [i] …

A low-energy crossed-beam study of the hydride abstraction and charge transfer reactions of C+ with CH3OH

RA Curtis, JM Farrar - Chemical physics letters, 1986 - Elsevier
We present a study of the hydride abstraction and charge transfer reactions of C+ with CH 3
OH in the relative energy range from 1.2 to 2.8 eV. Both reaction processes are direct in this …

Фотоэлектронная спектроскопия и электронная структура β-дикетонатных комплексов редкоземельных элементов

ВИ Вовна, ВВ Короченцев, АИ Чередниченко… - … Академии наук. Серия …, 2015 - elibrary.ru
Электронная структура трис (β-дикетонатных) комплексов лантаноидов и их аддуктов,
представляющих интерес как люминофоры, исследована методами УФ …

The oxygen Kα x-ray emission spectra of fluorinated anisoles and pentafluorophenol

VD Yumatov, AV Okotrub, LN Mazalov, GG Furin… - Journal of fluorine …, 1985 - Elsevier
Oxygen and fluorine K α X-ray emission spectra have been obtained for a number of oxygen-
containing compounds: H 2 O, CH 3 OH, C 6 H 5 OH, C 6 H 5 OCH 3, C 6 F 5 OH and 4-XC …

Vibronic contributions to the n→ π∗ absorption band of cyclopentanone. An ab initio SCF-RPA calculation

JP Flament, HP Gervais - Journal of Molecular Structure, 1982 - Elsevier
The SCF-RPA scheme is applied to the n→ π∗ absorption band of cyclopentanone in its (C
2) ground-state nuclear configuration. Using the Cederbaum-Domcke algorithm, the effects …

Calcul des facteurs de Franck-Condon pour la transition [math] les molécules d'éthylène deutérite

J Carlier, R Botter - Journal de chimie physique, 1984 - jcp.edpsciences.org
En prenant comme paramètre la géométrie de l'ion, nous avons calculé les facteurs de
Franck Condon pour l'ionisation des molecules d éthylène deutérié (transition [math]). Les …

Applications of the Franck-Condon Factors to Polyatomic Molecules

R Botter, J Carlier - Ionic Processes in the Gas Phase, 1984 - Springer
Franck Condon factors (FCF) for polyatomic molecules will be discussed. Elaborate potential
functions can only be used in a quasi diatomic approximation. Most of the polyatomic …

[HENVISNING][C] Photoelectron spectroscopy of alcohols, phenols, ethers and peroxides

M Eckert‐Maksić - Hydroxyl, Ether and Peroxide Groups (1993), 1993 - Wiley Online Library
Photoelectron spectroscopy of alcohols, phenols, ethers and peroxides Page 1 CHAPTER 7
Photoelectron spectroscopy of alcohols. phenols. ethers and peroxides M . ECKERT-MAKSIC …