Département de chimie moléculaire

Structural, kinetic, and theoretical studies on models of the zinc-containing phosphodiesterase active center: medium-dependent reaction mechanisms., Selmeczi, Katalin, Michel Carine, Milet Anne, Gautier-Luneau Isabelle, Philouze Christian, Pierre Jean-Louis, Schnieders David, Rompel Annette, and Belle Catherine , Chem. - A Eur. J., Volume 13, Number 32, p.9093–9106, (2007)

Water surface is acidic., Buch, Victoria, Milet Anne, Vacha Robert, Jungwirth Pavel, and J Devlin Paul. , Proc. Natl. Acad. Sci. U. S. A., Volume 104, Number 18, p.7342–7347, (2007)

Reaction of nitrones with silyl ketene acetals: A DFT study., Milet, Anne, Gimbert Yves, and Greene Andrew E. , J. Comput. Chem., Volume 27, Number 2, p.157–162, (2006)

Lewis base promoters in the Pauson-Khand reaction: A different scenario., Perez del Valle, Carlos, Milet Anne, Gimbert Yves, and Greene Andrew E. , Angew. Chemie, Int. Ed., Volume 44, Number 35, p.5717–5719, (2005)

Insight into the Reactivity of Olefins in the Pauson-Khand Reaction., de Bruin, Theodorus J. M., Milet Anne, Greene Andrew E., and Gimbert Yves , J. Org. Chem., Volume 69, Number 4, p.1075–1080, (2004)

Reactivity of Pyrido[4,3,2-kl]acridines: Regioselective Formation of 6-Substituted Derivatives., Bouffier, Laurent, Demeunynck Martine, Milet Anne, and Dumy Pascal , J. Org. Chem., Volume 69, Number 23, p.8144–8147, (2004)

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)

Role of cancellation of errors in ab initio calculations: Structure and energetics of the OH- (H2O) system and electric dipole properties of the subsystems. [Erratum to document cited in CA138:45026]., Weck, Gaetan, Milet Anne, Moszynski Robert, and Kochanski Elise. , J. Phys. Chem. A, Volume 107, Number 19, p.4008, (2003)

Hydrogen abstraction from ethylbenzene by imide-N-oxyl radicals with and without O2: a DFT theoretical study., Arnaud, Roger, Milet Anne, Adamo Carlo, Einhorn Cathy, and Einhorn Jacques , J. Chem. Soc. Perkin Trans. 2, Number 12, p.1967–1972, (2002)

Role of Cancellation of Errors in Ab Initio Calculations: Structure and Energetics of the OH- (H2O) System and Electric Dipole Properties of the Subsystems., Weck, Gaetan, Milet Anne, Moszynski Robert, and Kochanski Elise. , J. Phys. Chem. A, Volume 106, Number 50, p.12084–12094, (2002)

Theoretical study of the hydrogen chloride trihydrate., Struniewicz, Cezary, Milet Anne, Sadlej Joanna, and Moszynski Robert. , Int. J. Quantum Chem., Volume 90, Number 3, p.1151–1162, (2002)

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)

Highly regioselective Vilsmeier-Haack acylation of hexahydropyrroloindolizine., Sayah, Babak, Pelloux-Leon Nadia, Milet Anne, Pardillos-Guindet Josephine, and Vallee Yannick. , J. Org. Chem., Volume 66, Number 7, p.2522–2525, (2001)

Regiochemistry in the Pauson-Khand Reaction: Has a Trans Effect Been Overlooked?., Robert, Frederic, Milet Anne, Gimbert Yves, Konya Denes, and Greene Andrew E. , J. Am. Chem. Soc., Volume 123, Number 23, p.5396–5400, (2001)

Theoretical Study of the Regiochemistry-Determining Step of the Pauson-Khand Reaction., de Bruin, Theodorus J. M., Milet Anne, Robert Frederic, Gimbert Yves, and Greene Andrew E. , J. Am. Chem. Soc., Volume 123, Number 29, p.7184–7185, (2001)

Theoretical Study of the Addition of Hydrogen Cyanide to Methanimine in the Gas Phase and in Aqueous Solution., Arnaud, Roger, Adamo Carlo, Cossi Maurizio, Milet Anne, Vallee Yannick., and Barone Vincenzo. , J. Am. Chem. Soc., Volume 122, Number 2, p.324–330, (2000)

Hydrogen Bonding in Water Clusters: Pair and Many-Body Interactions from Symmetry-Adapted Perturbation Theory., Milet, Anne, Moszynski Robert, Wormer Paul E. S., and van der Avoird Ad. , J. Phys. Chem. A, Volume 103, Number 34, p.6811–6819, (1999)

Reduction of Water to H2 by Diorganopalladium(II) Complexes of Tris(pyrazol-1-yl)borate: Ab-Initio Theoretical Study of the Mechanism., Milet, Anne, Dedieu Alain, and Canty Allan J. , Organometallics, Volume 16, Number 24, p.5331–5341, (1997)

σ-Bond Metathesis Reactions Involving Palladium(II) Hydride and Methyl Complexes: A Theoretical Assessment.}, Milet, Anne, Dedieu Alain, Kapteijn Gerard, and van Koten G , Inorg. Chem., Volume 36, Number 15, p.3223–3231, (1997)

Synthesis and Theoretical Studies of a Diorganohydridoplatinum(IV) Complex, PtHMe2\(pz)3BH-N,N',N''\} ([(pz)3BH]- = Tris(pyrazol-1-yl)borate).}, Canty, Allan J., Dedieu Alain, Jin Hong, Milet Anne, and Richmond Matthew K. , Organometallics, Volume 15, Number 12, p.2845–2847, (1996)