Chapitres d'ouvrages

Année 2019

Thibaud Etienne and Mariachiara Pastore
Charge Separation: From the topology of molecular electronic transitions to the dye/semiconductor interfacial energetics and kinetics, 121-170
Dye-sensitized solar cells: Mathematical modeling, and materials design and optimization,
Éditions Masoud Soroush, Kenneth K. S. Lau, , 2019.
Gabriel Breuil, Kaltrina Shehu, Elise Lognon, Sylvain Pitié, Benjamin Lasorne and Thibaud Etienne
Diagnosis of two evaluation paths to density-based descriptors of molecular electronic transitions, 13289-310
Advances in Quantum Chemistry, , 2019.
Isabelle Bonnamour, Jean-Sébastien Filhol, Frédéric Lemoigno, Jean-Yves Winum and Nathalie Perol
Mémo visuel de chimie générale,
Journal non précisé, , 2019.

Année 2018

Année 2017

Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer and André Nauts
Applications of Quantum Dynamics in Chemistry, 98
Journal non précisé, , 2017.
Odile Eisenstein and Hélène Gérard
Structure, Bonding, and Reactivity of Organoaluminum Molecular Species: A Computational Perspective, 1-32
Patai's Chemistry of Functional Groups, , 2017.

Année 2016

Matthieu Saubanère, Jean-Sébastien Filhol and Marie-Liesse Doublet
Atomistic Modeling of Electrode Materials for Li-Ion Batteries: From Bulk to Interfaces, 1-36
Physical Multiscale Modeling and Numerical Simulation of Electrochemical Devices for Energy Conversion and Storage,
Éditions Alejandro A. Franco, Marie Liesse Doublet, Wolfgang G. Bessler, , 2016.
Edoardo Mosconi, Thibaud Etienne and Filippo De Angelis
First-Principles Modeling of Organohalide Thin Films and Interfaces, 19-52
Organic-Inorganic Halide Perovskite Photovoltaics,
Éditions Nam-Gyu Park, Michael Grätzel, Tsutomu Miyasaka, , 2016.

Année 2015

Lionel Perrin, Kevin Carr, David McKay, Claire McMullin, Stuart Macgregor and Odile Eisenstein
Modelling and Rationalizing Organometallic Chemistry with Computation: Where Are We?, 1-37
Computational Studies in Organometallic Chemistry,
Éditions Stuart A. Macgregor, Odile Eisenstein, , 2015.

Année 2014

Benjamin Lasorne, Graham A. Worth and Michael A. Robb
Non-adiabatic photochemistry: Ultrafast electronic state transitions and nuclear wavepacket coherence, 181-212
Molecular Quantum Dynamics – From Theory to Applications,
Éditions Fabien Gatti, , 2014.
Fabien Gatti and Benjamin Lasorne
Introduction and conceptual background, 1-30
Molecular Quantum Dynamics – From Theory to Applications,
Éditions Fabien Gatti, , 2014.
Fabien Gatti
Molecular Quantum Dynamics – From Theory to Applications,
Journal non précisé, , 2014.

Année 2013

Thiago Firmino, Roberto Marquardt, Fabien Gatti, Dong Wei and David Zanuttini
Full Quantum Calculations of the Diffusion Rate of Adsorbates, 29177
Frontiers in Quantum Methods and Applications in Chemistry and Physics,
Éditions Brändas E J. M. A. Nascimento J. Maruani, , 2013.

Année 2012

Eric Clot and Per ola Norrby
Modeling in homogeneous catalysis, a tutorial, 167-191
Innovative Catalysis in Organic Synthesis,
Éditions Pher G. Andersson, , 2012.

Année 2010

Gerard Parlant
Nonadiabatic dynamics with quantum trajectories, 263
Quantum Trajectories,
Éditions P K. Chattaraj, , 2010.

Année 2009

Hans-Dieter Meyer, Fabien Gatti and Graham Worth
Multidimensional Quantum Dynamics, MCTDH Theory and Applications,
Journal non précisé, , 2009.
Benjamin Lasorne and Graham A. Worth
Direct dynamics with quantum nuclei, 113-129
Multidimensional Quantum Dynamics: MCTDH Theory and Applications,
Éditions Hans-Dieter Meyer, Fabien Gatti, Graham A. Worth, , 2009.
Lluis Blancafort, Benjamin Lasorne, Michael J. Bearpark, Graham A. Worth and Michael A. Robb
Second-order analysis of conical intersections: Applications to photochemistry and photophysics of organic molecules, 97169-200
The Jahn-Teller Effect – Fundamentals and Implications for Physics and Chemistry,
Éditions Horst Köppel, David R. Yarkony, Heinz Barentzen, , 2009.

Année 2007

Michael R. Brill, O. Vendrell, Fabien Gatti and H -D. Meyer
Shared Memory parallelization of the Multi-Configuration Time-Dependent Hartree Method and Application to the Dynamics and Spectroscopy of the Protonated Water-Dimer, 141-155
High Performance Computing in Science and Engineering, , 2007.

Année 2006

Benjamin Lasorne, Michael J. Bearpark, Michael A. Robb and Graham A. Worth
Quantum direct dynamics applied to the intelligent control of benzene photochemistry, 34-39
Coherent Control of Molecules,
Éditions Benjamin Lasorne, Graham A. Worth, , 2006.

Année 2005

Claude Leforestier
Introduction à la Chimie Quantique,
Journal non précisé, , 2005.

UMR 5253 - CNRS/UM/ENSCM

Chapitres d'ouvrages CTMM