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1

A CASPT2 calculation of the lowest excited states of H2Fe(CO)4

Marie-Catherine Heitz, Chantal Daniel

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 544 KB

english, 1995

2

Photodissociation and electronic spectroscopy of transition metal hydrides carbonyls: quantum chemistry and wave packet dynamics

Marie Catherine Heitz, Dominique Guillaumont, Isabelle Cote-Bruand, Chantal Daniel

Journal:

Journal of Organometallic Chemistry

Year:

2000

Language:

english

File:

PDF, 271 KB

english, 2000

3

Working with subject matter experts

Albert L. Ingram, Kenneth Heitz, Christine Reid, Mary Beth Walsh, Catherine Wells

Journal:

Performance Improvement

Year:

1994

File:

PDF, 718 KB

1994

4

Effect of structure and size on the excited states dynamics of CaArnclusters

Plata, Jose J., Heitz, Marie-Catherine, Spiegelman, Fernand

Journal:

The European Physical Journal D / Atomic, Molecular, Optical and Plasma Physics

Year:

2013

Language:

english

File:

PDF, 662 KB

english, 2013

5

Relaxation Dynamics of Photoexcited Calcium Deposited on Argon Clusters: Theoretical Simulation of Time-Resolved Photoelectron Spectra †

Heitz, Marie-Catherine, Teixidor, Laurent, Van-Oanh, Nguyen-Thi, Spiegelman, Fernand

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 752 KB

english, 2010

6

Photodissociation Dynamics of Organometallics: Quantum Simulation for the Dihydride Complex H 2 Fe(CO) 4

Heitz, Marie-Catherine, Daniel, Chantal

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 213 KB

english, 1997

7

Time-resolved photoelectron spectra as probe of excited state dynamics: A full quantum study of the Na[sub 2]F cluster

Heitz, Marie-Catherine, Durand, Gérard, Spiegelman, Fernand, Meier, Christoph

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 482 KB

english, 2003

8

Spin-orbit induced radiationless transitions in organometallics: Quantum simulation of the intersystem crossing processes in the photodissociation of HCo(CO)4

Heitz, Marie-Catherine, Ribbing, Carl, Daniel, Chantal

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 446 KB

english, 1997

9

Spin–orbit induced radiationless transitions in organometallics: Quantum simulation of the 1E→3A1 intersystem crossing process in HCo(CO)4

Daniel, Chantal, Heitz, Marie-Catherine, Manz, Jörn, Ribbing, Carl

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 437 KB

english, 1995

10

Laser control of vibrational excitation in carboxyhemoglobin: A quantum wave packet study

Meier, Christoph, Heitz, Marie-Catherine

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 712 KB

english, 2005

11

A comprehensive theoretical investigation of the electronic states of Ca[sub 2] up to the Ca(4s[sup 2] [sup 1]S)+Ca(4s5p [sup 1]P) dissociation limit

Bouissou, Thomas, Durand, Gérard, Heitz, Marie-Catherine, Spiegelman, Fernand

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 311 KB

english, 2010

12

Methodological CASPT2 study of the valence excited states of an iron-porphyrin complex

Ben Amor, Nadia, Soupart, Adrien, Heitz, Marie-Catherine

Journal:

Journal of Molecular Modeling

Year:

2017

Language:

english

File:

PDF, 1.46 MB

english, 2017

13

RASPT2 study of the valence excited states of an iron–porphyrin–carbonyl model complex

Ben Amor, Nadia, Heitz, Marie‐Catherine

Journal:

Journal of Computational Chemistry

Year:

2019

Language:

english

File:

PDF, 929 KB

english, 2019

14

Electronic Excited States and UV-Vis Absorption Spectra of the Dihydropyrene/Cyclophanediene Photochromic Couple: A Theoretical Investigation

Sarkar, Rudraditya, Heitz, Marie-Catherine, Royal, Guy, Boggio-Pasqua, Martial

Journal:

Journal of Physical Chemistry A

Year:

2020

File:

PDF, 1.39 MB

2020

15

Dependency of the Dimethyldihydropyrene Photochromic Properties on the Number of Pyridinium ElectronâWithdrawing Groups

Lognon, Elise, Heitz, Marie-Catherine, Bakkar, Assil, Cobo, Saioa, Loiseau, FrÃ©dÃ©rique, Saint Aman, Eric, Royal, Guy, Boggio-Pasqua, Martial

Journal:

Year:

2020

File:

PDF, 1.90 MB

2020

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