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1

Electron-Structure Calculations and Bond Order Analysis Using Density Functional Theory of Cationic Dinuclear Arene Ruthenium Complexes

Fowe, Emmanuel Penka, Therrien, Bruno, Süss-Fink, Georg, Daul, Claude

Journal:

Inorganic Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 202 KB

english, 2008

2

Density functional theory study of the Jahn-Teller effect in cobaltocene

Zlatar, Matija, Schläpfer, Carl-Wilhelm, Penka Fowe, Emmanuel, Daul, Claude A.

Journal:

Pure & Applied Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 417 KB

english, 2009

3

and their cations with ultrashort intense laser pulses with time-dependent density-functional theory

Penka, Emmanuel Fowe, Couture-Bienvenue, Etienne, Bandrauk, Andre D.

Journal:

Physical Review A

Année:

2014

Langue:

english

Fichier:

PDF, 1.28 MB

english, 2014

4

Assessment of theoretical prediction of the NMR shielding tensor of 195PtClxBr6?x2? complexes by DFT calculations: experimental and computational results

Penka Fowe, Emmanuel, Belser, Peter, Daul, Claude, Chermette, Henry

Journal:

Physical Chemistry Chemical Physics

Année:

2005

Langue:

english

Fichier:

PDF, 598 KB

english, 2005

5

Nonlinear time-dependent density functional theory studies of the ionization of CO 2 by ultrashort intense laser pulses 1

Fowe, Emmanuel Penka, Bandrauk, André Dieter

Journal:

Canadian Journal of Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 1013 KB

english, 2009

6

Nonperturbative time-dependent density functional theory (TDDFT) and time-dependent electron localization function (TDELF) study of the ionization of OCS and CS 2 with ultrashort intense laser pulses — Orientational effects

Penka, Emmanuel Fowe, Bandrauk, André Dieter

Journal:

Canadian Journal of Chemistry

Année:

2012

Fichier:

PDF, 4.03 MB

2012

7

Nonlinear time-dependent density functional theory investigation and visualization of ionizations in CO 2 — Effects of laser intensities and molecular orientations

Fowe, Emmanuel Penka, Bandrauk, André Dieter

Journal:

Canadian Journal of Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 1.18 MB

english, 2010

8

by ultrashort intense laser pulses: Orientational effects

Fowe, Emmanuel Penka, Bandrauk, Andre D.

Journal:

Physical Review A

Année:

2010

Langue:

english

Fichier:

PDF, 981 KB

english, 2010

9

molecules with ultrashort intense laser pulses: Intensity and orientational effects

Penka Fowe, Emmanuel, Bandrauk, Andre D.

Journal:

Physical Review A

Année:

2011

Langue:

english

Fichier:

PDF, 584 KB

english, 2011