| Year |
Citation |
Score |
| 2010 |
Issenhuth J, Notter F, Dagorne S, Dedieu A, Bellemin-Laponnaz S. Mechanistic Studies on the Copper-Catalyzed Hydrosilylation of Ketones (Eur. J. Inorg. Chem. 4/2010) European Journal of Inorganic Chemistry. 2010: 499-499. DOI: 10.1002/Ejic.201090006 |
0.304 |
|
| 2009 |
Mota AJ, Dedieu A. Palladium motion in cyclomeric compounds: a theoretical study. Inorganic Chemistry. 48: 11131-41. PMID 19902907 DOI: 10.1021/Ic901506V |
0.369 |
|
| 2009 |
Rohmer M, Barry M, Dedieu A, Veillard A. End-on versus side-on coordination of dioxygen: An ab initio calculation for peroxotitaniumporphyrin International Journal of Quantum Chemistry. 12: 337-342. DOI: 10.1002/Qua.560120733 |
0.688 |
|
| 2006 |
Mota AJ, Dedieu A. Intramolecular 1,n palladium migrations in polycyclic aromatic hydrocarbons. Palladium(II) versus palladium(iv) mechanisms: A theoretical study Organometallics. 25: 3130-3142. DOI: 10.1021/Om060128A |
0.338 |
|
| 2005 |
Mota AJ, Dedieu A, Kuhn P, Matt D, Welter R, Neuburger M. Can weak interactions modify the binding properties of a strong nitrogen donor? Unusual N-coordination of a phosphoranylidene-substituted pyrazolone unit towards palladium(II) centres: an experimental and theoretical study. Dalton Transactions (Cambridge, England : 2003). 3155-60. PMID 16172639 DOI: 10.1039/B506352N |
0.377 |
|
| 2005 |
Mota AJ, Dedieu A, Bour C, Suffert J. Cyclocarbopalladation involving an unusual 1,5-palladium vinyl to aryl shift as termination step: theoretical study of the mechanism. Journal of the American Chemical Society. 127: 7171-82. PMID 15884959 DOI: 10.1021/Ja050453+ |
0.366 |
|
| 2005 |
Mota AJ, Klein A, Wendling F, Dedieu A, Miesch M. Controlled synthesis of α-allenic ester and spiro ketone derivatives from tailored α-substituted cycloalkanones through cascade reactions: Exploring the possible reaction pathways by means of semiempirical MO calculations European Journal of Organic Chemistry. 4346-4358. DOI: 10.1002/Ejoc.200500339 |
0.303 |
|
| 2004 |
Dedieu A, Humbel S, Elsevier CJ, Grauffel C. Theoretical study of the semihydrogenation of alkynes catalyzed by Pd(0) complexes: Is a zwitterionic pathway possible? Theoretical Chemistry Accounts. 112: 305-312. DOI: 10.1007/S00214-004-0588-X |
0.373 |
|
| 2002 |
Robitzer M, Ritleng V, Sirlin C, Dedieu A, Pfeffer M. Pseudo-tetrahedral semi-sandwich cycloruthenated compounds: 1H NMR data and DFT-calculations about the racemisation process of the ruthenium atom Comptes Rendus Chimie. 5: 467-472. DOI: 10.1016/S1631-0748(02)01388-7 |
0.351 |
|
| 2001 |
Dobler M, Guilbaud P, Dedieu A, Wipff G. Interaction of trivalent lanthanide cations with nitrate anions: A quantum chemical investigation of monodentate/bidentate binding modes New Journal of Chemistry. 25: 1458-1465. DOI: 10.1039/B104333C |
0.338 |
|
| 2001 |
Braunstein P, Naud F, Dedieu A, Rohmer MM, DeCian A, Rettig SJ. Palladium complexes with a new hemilabile bis(oxazoline)phenylphosphonite ligand. Characterization of an unprecedented chloro palladium(II)-(η1-allyl) complex Organometallics. 20: 2966-2981. DOI: 10.1021/Om010165W |
0.541 |
|
| 2001 |
Visentin T, Kochanski E, Moszynski R, Dedieu A. Interaction of dichloromethane with palladium complexes: A comparative symmetry-adapted perturbation theory, supermolecule, and self-consistent reaction field study Journal of Physical Chemistry A. 105: 2031-2038. DOI: 10.1021/Jp003625S |
0.377 |
|
| 2001 |
Visentin T, Kochanski E, Moszynski R, Dedieu A. Interaction of dichloromethane with the coordination sphere of palladium complexes: Toward a first solvation shell model Journal of Physical Chemistry A. 105: 2023-2030. DOI: 10.1021/Jp0036240 |
0.383 |
|
| 2000 |
Dedieu A. Theoretical studies in palladium and platinum molecular chemistry. Chemical Reviews. 100: 543-600. PMID 11749245 DOI: 10.1021/Cr980407A |
0.318 |
|
| 1999 |
Visentin T, Dedieu A, Kochanski E, Padel L. Alternative algorithms for optimizing an ellipsoidal cavity in self- consistent reaction field calculations. Example of an organometallic complex Journal of Molecular Structure: Theochem. 459: 201-214. DOI: 10.1016/S0166-1280(98)00268-1 |
0.306 |
|
| 1999 |
Canty AJ, Dedieu A, Jin H, Milet A, Skelton BW, Trofimenko S, White AH. Coordination geometries for palladium and platinum: Theoretical studies and the synthesis and structure of tris(indazol-1-yl)borate complexes MMe3{(ind)3BH} Inorganica Chimica Acta. 287: 27-36. DOI: 10.1016/S0020-1693(98)00402-2 |
0.374 |
|
| 1999 |
Bellemin-Laponnaz S, Ny JPL, Dedieu A. Mechanism of the allylic rearrangement of allyloxo metal oxo complexes: An ab initio theoretical investigation Chemistry - a European Journal. 5: 57-64. DOI: 10.1002/(Sici)1521-3765(19990104)5:1<57::Aid-Chem57>3.0.Co;2-B |
0.348 |
|
| 1998 |
Hutschka F, Dedieu A, Troxler L, Wipff G. Theoretical studies on the UO2 2+ and Sr2+ complexation by phosphoryl-containing O=PR3 ligands: QM ab initio calculations in the gas phase and MD FEP calculations in aqueous solution Journal of Physical Chemistry A. 102: 3773-3781. DOI: 10.1021/Jp9804695 |
0.389 |
|
| 1998 |
Visentin T, Kochanski E, Dedieu A. Intermolecular interactions of dichloromethane with Pd(IV) organometallic compounds: Can we use small basis sets in ab initio MP2 and DFT calculations? Journal of Molecular Structure: Theochem. 431: 255-265. DOI: 10.1016/S0166-1280(98)00043-8 |
0.407 |
|
| 1998 |
Troxler L, Dedieu A, Hutschka F, Wipff G. Complexation of Ln3+ lanthanide cations with phosphoryl-containing O=PR3 ligands: A quantum-mechanics study Journal of Molecular Structure: Theochem. 431: 151-163. DOI: 10.1016/S0166-1280(97)00434-X |
0.365 |
|
| 1997 |
Milet A, Dedieu A, Kapteijn G, van Koten G. sigma-Bond Metathesis Reactions Involving Palladium(II) Hydride and Methyl Complexes: A Theoretical Assessment. Inorganic Chemistry. 36: 3223-3231. PMID 11669984 DOI: 10.1021/Ic960807L |
0.409 |
|
| 1997 |
Hutschka F, Dedieu A. On the assistance of the heterolytic cleavage of H2 by anexternal base: a theoretical assessment Journal of the Chemical Society-Dalton Transactions. 1899-1902. DOI: 10.1039/A608594F |
0.372 |
|
| 1997 |
Milet A, Dedieu A, Canty AJ. Reduction of water to H2 by diorganopalladium(II) complexes of tris(pyrazol-1-yl)borate: Ab-initio theoretical study of the mechanism Organometallics. 16: 5331-5341. DOI: 10.1021/Om9702338 |
0.347 |
|
| 1997 |
Hutschka F, Dedieu A, Eichberger M, Fornika R, Leitner W. Mechanistic aspects of the rhodium-catalyzed hydrogenation of CO2 to formic acid - A theoretical and kinetic study Journal of the American Chemical Society. 119: 4432-4443. DOI: 10.1021/Ja961579X |
0.35 |
|
| 1996 |
Bender R, Braunstein P, Dedieu A, Ellis PD, Huggins B, Harvey PD, Sappa E, Tiripicchio A. Synthetic, Structural, Spectroscopic, and Theoretical Studies of Structural Isomers of the Cluster Pt(3)(&mgr;-PPh(2))(3)Ph(PPh(3))(2). A Unique Example of Core Isomerism in Phosphine Phosphido-Rich Clusters. Inorganic Chemistry. 35: 1223-1234. PMID 11666312 DOI: 10.1021/Ic951164X |
0.302 |
|
| 1995 |
Markies BA, Wijkens P, Dedieu A, Boersma J, Spek AL, Van Koten G. High-pressure NMR and ab initio computational studies on the insertion mechanism of carbon monoxide into cationic monoorganopalladium(II) complexes bearing tridentate nitrogen donor ligands Organometallics. 14: 5628-5641. DOI: 10.1021/Om00012A032 |
0.419 |
|
| 1995 |
Engel PF, Pfeffer M, Dedieu A. Synthesis and Theoretical Analysis of Palladium(II) Complexes Containing a .eta.1 Metallacarbyne Ligand Organometallics. 14: 3423-3434. DOI: 10.1021/Om00007A049 |
0.339 |
|
| 1995 |
Milet A, Dedieu A. Theoretical study of the protonation of square-planar palladium(II) complexes. Assessment of basis set and correlation effects Theoretica Chimica Acta. 92: 361-367. DOI: 10.1007/Bf01114850 |
0.406 |
|
| 1995 |
Hutschka F, Dedieu A, Leitner W. σ metathesis as a critical step for the transition metal catalyzed formation of formic acid from CO2 and H2? An ab initio investigation Angewandte Chemie (International Edition in English). 34: 1742-1745. DOI: 10.1002/Anie.199517421 |
0.305 |
|
| 1994 |
de Vaal P, Dedieu A. The insertion of acetylene into the palladium carbon bond of square planar Pd(II) complexes: a theoretical investigation Journal of Organometallic Chemistry. 478: 121-129. DOI: 10.1016/0022-328X(94)88164-2 |
0.302 |
|
| 1994 |
de Vaal P, Dedieu A. The insertion of acetylene into the palladium carbon bond of square planar Pd(II) complexes: a theoretical investigation Journal of Organometallic Chemistry. 478: 121-129. DOI: 10.1016/0022-328X(94)88164-2 |
0.302 |
|
| 1993 |
Jegat C, Fouassier M, Tranquille M, Mascetti J, Tommasi I, Aresta M, Ingold F, Dedieu A. Carbon dioxide coordination chemistry. 3. Vibrational, NMR, theoretical studies of (carbon dioxide)bis(tricyclohexylphosphine)nickel Inorganic Chemistry. 32: 1279-1289. DOI: 10.1021/Ic00059A041 |
0.311 |
|
| 1992 |
Wehman-Ooyevaar ICM, Grove DM, De Vaal P, Dedieu A, Van Koten G. A hydrogen atom in an organoplatinum-amine system. 2. The first isolated arylplatinum(IV) hydrides: synthetic and theoretical study (SCF and CAS-SCF calculations) on model complexes with a N-M(IV)-H/M(II)-.cntdot..cntdot..cntdot.H-N+ unit (M = Pd, Pt) Inorganic Chemistry. 31: 5484-5493. DOI: 10.1021/Ic00052A026 |
0.325 |
|
| 1992 |
Braunstein P, De Jesús E, Dedieu A, Lanfranchi M, Tiripicchio A. Phosphido-bridged, heterodi-, heterotri-, and heterotetranuclear complexes of palladium and platinum with transition metals. Crystal structure of [{(OC)4Mn(μ-PPh2)}2Pt(PPh3)] (Mn-Mn, 2 Mn-Pt) Inorganic Chemistry. 31: 399-410. DOI: 10.1021/Ic00029A012 |
0.335 |
|
| 1991 |
Engel PF, Pfeffer M, Fischer J, Dedieu A. Metallacarbynes mimicking alkynes in their reactions with palladium-carbon bonds Journal of the Chemical Society - Series Chemical Communications. 1274-1276. DOI: 10.1039/C39910001274 |
0.343 |
|
| 1987 |
Dedieu A, Sakaki S, Strich A, Siegbahn PEM. A theoretical study of co insertion reactions: an assessment of electron correlation effects Chemical Physics Letters. 133: 317-323. DOI: 10.1016/0009-2614(87)87075-6 |
0.665 |
|
| 1986 |
Braunstein P, Rose J, Dedieu A, Dusausoy Y, Mangeot JP, Tiripicchio A, Tiripicchio-Camellini M. Syntheses, structures, and bonding of heteropentametallic clusters [MCo3(CO)12{μ3-M′(EPh3)}] (M = Fe or Ru; M′ = Cu or Au; E = P or As): X-ray crystal structures of [RuCo3(CO)12{μ3-M′(PPh3)}] (M′ = Cu or Au) Journal of the Chemical Society, Dalton Transactions. 225-234. DOI: 10.1039/Dt9860000225 |
0.315 |
|
| 1984 |
Daniel C, Benard M, Dedieu A, Wiest R, Veillard A. Theoretical aspects of the photochemistry of organometallics. 3. Potential energy curves for the photodissociation of pentacarbonyliron (Fe(CO)5) The Journal of Physical Chemistry. 88: 4805-4811. DOI: 10.1021/J150665A004 |
0.587 |
|
| 1984 |
Nakamura S, Dedieu A. Rotational isomerism in bis carbene MOL4 complexes: A theoretical study Theoretica Chimica Acta. 64: 461-467. DOI: 10.1007/Bf00554231 |
0.352 |
|
| 1984 |
Veillard A, Dedieu A. Gaussian basis sets for transition metals of the second series Theoretica Chimica Acta. 65: 215-218. DOI: 10.1007/Bf00551334 |
0.539 |
|
| 1984 |
Daniel C, Bénard M, Dedieu A, Wiest R, Veillard A. Theoretical aspects of the photochemistry of organometallics. 3. Potential energy curves for the photodissociation of Fe(CO)5 Journal of Physical Chemistry. 88: 4805-4811. |
0.48 |
|
| 1984 |
Daniel C, Bénard M, Dedieu A, Wiest R, Veillard A. Theoretical aspects of the photochemistry of organometallics. 3. Potential energy curves for the photodissociation of Fe(CO)5 Journal of Physical Chemistry. 88: 4805-4811. |
0.48 |
|
| 1983 |
Rohmer MM, Dedieu A, Veillard A. Structure and properties of a model of deoxyheme, an ab initio SCF calculation Chemical Physics. 77: 449-462. DOI: 10.1016/0301-0104(83)85099-X |
0.632 |
|
| 1983 |
Veillard A, Dedieu A. State correlation diagrams for the photochemical reactions of organometallics Theoretica Chimica Acta. 63: 339-348. DOI: 10.1007/Bf01151611 |
0.518 |
|
| 1982 |
Dedieu A, Rohmer MM, Veillard A. Ab Initio Calculations of Metalloporphyrins Advances in Quantum Chemistry. 16: 43-95. DOI: 10.1016/S0065-3276(08)60351-2 |
0.678 |
|
| 1982 |
Dedieu A, Rohmer MM, Veillard A. Ab Initio Calculations of Metalloporphyrins Advances in Quantum Chemistry. 16: 43-95. DOI: 10.1016/S0065-3276(08)60351-2 |
0.678 |
|
| 1979 |
Dedieu A, Albright TA, Hoffmann R. Some hydrido-bridged transition-metal dimers and their unsupported analogs. Speculations on pentuple bonding and pentuple bridging Journal of the American Chemical Society. 101: 3141-3151. DOI: 10.1021/Ja00506A001 |
0.33 |
|
| 1979 |
Dedieu A, Strich A. A molecular orbital analysis of the oxidative addition of hydrogen to the chlorotris(triphenylphosphine)rhodium(I) complex Inorganic Chemistry. 18: 2940-2943. |
0.642 |
|
| 1977 |
Dedieu A, Rohmer MM. Oxygen binding to manganese porphyrin. An ab initio calculation [4] Journal of the American Chemical Society. 99: 8050-8051. |
0.517 |
|
| 1976 |
Dedieu A, Rohmer MM, Benard M, Veillard A. Oxygen binding to iron porphyrins. An ab initio calculation [7] Journal of the American Chemical Society. 98: 3717-3718. PMID 1270708 DOI: 10.1021/Ja00428A060 |
0.646 |
|
| 1976 |
Dedieu A, Rohmer MM, Veillard A. Binding of dioxygen to metal complexes. The oxygen adduct of Co(acacen) Journal of the American Chemical Society. 98: 5789-5800. DOI: 10.1021/Ja00435A009 |
0.642 |
|
| 1975 |
Dedieu A, Veillard A. Electronic aspects of dioxygen binding to cobalt-schiff-base-complexes: An ab initio calculation Theoretica Chimica Acta. 36: 231-235. DOI: 10.1007/Bf00572564 |
0.609 |
|
| 1975 |
Rohmer MM, Dedieu A, Veillard A. End-on versus side-on coordination of dioxygen model ab initio calculations for the adducts of Co(acacen) Theoretica Chimica Acta. 39: 189-195. DOI: 10.1007/Bf00550321 |
0.675 |
|
| 1972 |
DEDIEU A, VEILLARD A. ChemInform Abstract: VERGLEICHENDE UNTERSUCHUNG VON S(N)2-RK. DURCH AB-INITIO-BERECHNUNGEN Chemischer Informationsdienst. 3. DOI: 10.1002/chin.197248150 |
0.462 |
|
| 1972 |
Dedieu A, Veillard A. A comparative study of some SN2 reactions through ab initio calculations Journal of the American Chemical Society. 94: 6730-6738. |
0.544 |
|
| 1970 |
Dedieu A, Veillard A. AB initio calculation of activation energy for an SN2 reaction Chemical Physics Letters. 5: 328-330. DOI: 10.1016/0009-2614(70)85156-9 |
0.532 |
|
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