Département de chimie moléculaire

Experimental and Computational Insights into Carbon Dioxide Fixation by RZnOH Species., Sokolowski, Kamil, Bury Wojciech, Tulewicz Adam, Cieslak Anna M., Justyniak Iwona, Kubicki Dominik, Krajewska Elzbieta, Milet Anne, Moszynski Robert, and Lewinski Janusz. , Chem. - A Eur. J., Volume 21, Number 14, p.5496–5503, (2015)

Epitaxial and polycrystalline growth of AlN by high temperature CVD. Experimental results and simulation., Boichot, R, Claudel A, Baccar N, Milet Anne, Blanquet E, and Pons M , Surf. Coatings Technol., Volume 205, Number 5, p.1294–1301, (2010)

En route to life: The very first step., Milet, Anne, Gouron Aurelie, David Rolf, Jamet Hélène, and Vallee Yannick. , Abstracts of Papers, 246th ACS National Meeting {&} Exposition, Indianapolis, IN, United States, September 8-12, 2013, (2013)

On Early Events in the Pauson-Khand Reaction., Gimbert, Yves, Lesage Denis, Milet Anne, Fournier Francoise, Greene Andrew E., and Tabet Jean-Claude. , Org. Lett., Volume 5, Number 22, p.4073–4075, (2003)

Did Homocysteine Take Part in the Start of the Synthesis of Peptides on the Early Earth ?, Youssef-Saliba, Sparta, Milet Anne, and Vallee Yannick , Biomolecules, Volume 12, Issue 4, p.555, (2022)

A DFT study of 1,3-dipolar cycloadditions of cyclic nitrones to unsaturated lactones. Part II., Stecko, Sebastian, Pasniczek Konrad, Michel Carine, Milet Anne, Perez Serge, and Chmielewski Marek. , Tetrahedron: Asymmetry, Volume 19, Number 18, p.2140–2148, (2008)

A DFT study of 1,3-dipolar cycloaddition reactions of 5-membered cyclic nitrones with $\alpha$,$\beta$-unsaturated lactones and with cyclic vinyl ethers: Part 1., Stecko, Sebastian, Pasniczek Konrad, Michel Carine, Milet Anne, Perez Serge, and Chmielewski Marek. , Tetrahedron: Asymmetry, Volume 19, Number 14, p.1660–1669, (2008)

DFT and TDDFT Study of 4-((Furan-2-Ylmethyl)Sulfonyl)-Substituted ZINC(II) Phthalocyanine: Importance of Grimme Dispersion with A Becke–Johnson Damping Correction and the Substituent Effect, Khazri, M., Sahra K., Milet Anne, Jamoussi B., and Messaoudi S. , Journal of Structural Chemistry, Volume 61, p.844–851, (2020)

Cyclizations of 4-Pentenyl, 5-Hexenyl, 6-Heptenyl, and 7-Octenyl Fluorinated Radicals: A Density Functional Theory Theoretical Study., Milet, Anne, and Arnaud Roger. , J. Org. Chem., Volume 66, Number 18, p.6074–6082, (2001)

Crossing of the Cystic Barriers of Toxoplasma gondii by the Fluorescent Coumarin Tetra-Cyclopeptide, Dard, Céline, Leforestier Baptiste, Hilário Flaviane Francisco, Traoré Mohamed Dit Mady, Lespinasse Marie-Ange, Peres Basile, Molina Marie-Carmen, de Freitas Rossimiriam Pereira, Milet Anne, Maubon Danièle, et al. , Molecules, Volume 26, (2021)

Conformational flexibility of human casein kinase catalytic subunit explored by metadynamics., Gouron, Aurelie, Milet Anne, and Jamet Hélène , Biophys. J., Volume 106, Number 5, p.1134–1141, (2014)

Comparative Theoretical Studies of the Phosphomonoester Hydrolysis Mechanism by Purple Acid Phosphatases., Retegan, M, Milet Anne, and Jamet Hélène , J. Phys. Chem. A, Volume 114, Number 26, p.7110–7116, (2010)

Chemically and Electrochemically Triggered Assembly of Viologen Radicals: Towards Multiaddressable Molecular Switches., Kahlfuss, Christophe, Metay Estelle, Duclos Marie-Christine, Lemaire Marc, Milet Anne, Saint-Aman Eric, and Bucher Christophe , Chem. - A Eur. J., Volume 21, Number 5, p.2090–2106, (2015)

CFD modeling of the high-temperature HVPE growth of aluminum nitride layers on c-plane sapphire: from theoretical chemistry to process evaluation., Boichot, R, Coudurier N, Mercier F, Claudel A, Baccar N, Milet Anne, Blanquet E, and Pons M , Theor. Chem. Acc., Volume 133, Number 1, p.1–13, (2014)

Bond dissociation energies of carbonyl gold complexes: a new descriptor of ligand effects in gold(I) complexes?, Gatineau, David, Lesage Denis, Clavier Herve, Dossmann Heloise, Chan Chen H., Milet Anne, Memboeuf Antony, Cole Richard B., and Gimbert Yves , Dalton Trans., Volume 47, p.15497–15505, (2018)

A bio-inspired heterodinuclear CoFe complex of the hydrogenases, Sun, Lili, Adam Suzanne M., Mokdad Walaa, David Rolf, Milet Anne, Artero Vincent, and Duboc Carole , Faraday Discuss., p.-, (2021)

Autoionization at the surface of neat water: Is the top layer pH neutral, basic, or acidic?., Vacha, Robert, Buch Victoria, Milet Anne, J Devlin Paul, and Jungwirth Pavel. , Phys. Chem. Chem. Phys., Volume 9, Number 34, p.4736–4747, (2007)

At the very beginning of life on Earth: the thiol-rich peptide (TRP) world hypothesis., Vallee, Yannick., Shalayel Ibrahim, Ly Kieu-Dung, Rao K V. Raghaven, De Paepe Gael, Marker Katharina, and Milet Anne , Int. J. Develop. Biol., Volume 61, p.471–478, (2017)

$\alpha$-Halogenoacetanilides as Hydrogen-Bonding Organocatalysts that Activate Carbonyl Bonds: Fluorine versus Chlorine and Bromine., Koeller, Sylvain, Thomas Coralie, Peruch Frederic, Deffieux Alain, Massip Stéphane, Leger Jean-Michel, Desvergne Jean-Pierre, Milet Anne, and Bibal Brigitte. , Chem. - A Eur. J., Volume 20, Number 10, p.2849–2859, (2014)

Activation of carbonyl bonds by quaternary ammoniums and a (Na+:crown-ether) complex: investigation of the ring-opening polymerization of cyclic esters., Thomas, Coralie, Milet Anne, Peruch Frederic, and Bibal Brigitte. , Polym. Chem., Volume 4, Number 12, p.3491–3498, (2013)