| Year |
Citation |
Score |
| 2020 |
Daniel C, Gourlaouen C, Takano K, Hamano A. Substituent effects on the photophysical properties of 2,9-substituted phenanthroline copper(I) complexes: a theoretical investigation. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 33241892 DOI: 10.1002/cphc.202000868 |
0.335 |
|
| 2020 |
Bonfiglio A, Pallova L, César V, Gourlaouen C, Bellemin-Laponnaz S, Daniel C, Polo F, Mauro M. Phosphorescent cationic heterodinuclear IrIII/MI complexes (M = CuI, AuI) with a hybrid Janus-type N-heterocyclic carbene bridge. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32632987 DOI: 10.1002/Chem.202002767 |
0.424 |
|
| 2020 |
Gimeno L, Blart E, Rebilly JN, Coupeau M, Allain M, Roisnel T, Quarré de Verneuil A, Gourlaouen C, Daniel C, Pellegrin Y. Non symmetrical sterically challenged phenanthroline ligands and their homoleptic copper(I) complexes with improved excited state properties. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32492221 DOI: 10.1002/Chem.202001209 |
0.375 |
|
| 2020 |
Almallah H, Brenner E, Matt D, Jahjah M, Hijazi A, Gourlaouen C. Anagostic Interactions in Alkyl-Fluorenyl-Substituted N‐Heterocyclic Carbene Complexes of Palladium(ii)* Australian Journal of Chemistry. 73: 579-585. DOI: 10.1071/Ch19608 |
0.391 |
|
| 2019 |
Daniel C, Gourlaouen C. Structural and Optical Properties of Metal-Nitrosyl Complexes. Molecules (Basel, Switzerland). 24. PMID 31600965 DOI: 10.3390/Molecules24203638 |
0.403 |
|
| 2019 |
Brown-Xu S, Fumanal M, Gourlaouen C, Gimeno L, Quatela A, Thobie-Gautier C, Blart E, Planchat A, Riobé F, Monnereau C, Chen LX, Daniel C, Pellegrin Y. Intriguing Effects of Halogen Substitution on the Photophysical Properties of 2,9-(Bis)halo-Substituted Phenanthrolinecopper(I) Complexes. Inorganic Chemistry. PMID 31140791 DOI: 10.1021/Acs.Inorgchem.9B00042 |
0.348 |
|
| 2019 |
Visser B, Beck M, Bornhauser P, Knopp G, van Bokhoven JA, Radi P, Gourlaouen C, Marquardt R. New experimental and theoretical assessment of the dissociation energy of C2 Molecular Physics. 117: 1645-1652. DOI: 10.1080/00268976.2018.1564849 |
0.316 |
|
| 2019 |
Almallah H, Nos M, Ayzac V, Brenner E, Matt D, Gourlaouen C, Jahjah M, Hijazi A. Complexes featuring N-heterocyclic carbenes with bowl-shaped wingtips Comptes Rendus Chimie. 22: 299-309. DOI: 10.1016/J.Crci.2019.01.008 |
0.384 |
|
| 2019 |
Renard N, Brenner E, Matt D, Gourlaouen C. Adaptive Behavior of a Ditopic Phosphine Ligand European Journal of Inorganic Chemistry. 2019: 2996-3004. DOI: 10.1002/Ejic.201900571 |
0.379 |
|
| 2018 |
Gourlaouen C, Vela S, Choua S, Berville M, Wytko JA, Weiss J, Robert V. Pairing-up viologen cations and dications: a microscopic investigation of van der Waals interactions. Physical Chemistry Chemical Physics : Pccp. PMID 30378600 DOI: 10.1039/C8Cp04543G |
0.366 |
|
| 2018 |
Stoianov A, Gourlaouen C, Vela S, Daniel C. Luminescent Dinuclear Copper (I) Complexes as Potential TADF Emitters: A Theoretical Study. The Journal of Physical Chemistry. A. PMID 29323493 DOI: 10.1021/Acs.Jpca.7B11793 |
0.334 |
|
| 2018 |
Soulis K, Gourlaouen C, Daniel C, Quatela A, Odobel F, Blart E, Pellegrin Y. New luminescent copper(I) complexes with extended π-conjugation Polyhedron. 140: 42-50. DOI: 10.1016/J.Poly.2017.11.026 |
0.338 |
|
| 2017 |
Visser B, Beck M, Bornhauser P, Knopp G, van Bokhoven JA, Marquardt R, Gourlaouen C, Radi PP. Identification of a new low energy 1u state in dicopper with resonant four-wave mixing. The Journal of Chemical Physics. 147: 214308. PMID 29221416 DOI: 10.1063/1.5006107 |
0.355 |
|
| 2017 |
Ren X, Gourlaouen C, Wesolek M, Braunstein P. Tritopic NHC Precursors: Unusual Nickel Reactivity and Ethylene Insertion into a Csp3-H Bond. Angewandte Chemie (International Ed. in English). PMID 28758718 DOI: 10.1002/Anie.201706581 |
0.345 |
|
| 2017 |
Elaieb F, Sémeril D, Matt D, Pfeffer M, Bouit PA, Hissler M, Gourlaouen C, Harrowfield J. Calix[4]arene-fused phospholes. Dalton Transactions (Cambridge, England : 2003). PMID 28683153 DOI: 10.1039/C7Dt01899A |
0.36 |
|
| 2017 |
Schweitzer B, Daniel C, Gourlaouen C. Metal-metal bonding in 1st, 2nd and 3rd row transition metal complexes: a topological analysis. Journal of Molecular Modeling. 23: 163. PMID 28424928 DOI: 10.1007/S00894-017-3321-0 |
0.416 |
|
| 2017 |
Berville M, Choua S, Gourlaouen C, Boudon C, Ruhlmann L, Bailly C, Cobo S, Saint-Aman E, Wytko JA, Weiss J. Flexible viologen cyclophanes: odd/even effects on intramolecular interactions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 28052477 DOI: 10.1002/Cphc.201700011 |
0.305 |
|
| 2017 |
Daniel C, Gourlaouen C. Chemical bonding alteration upon electronic excitation in transition metal complexes Coordination Chemistry Reviews. 344: 131-149. DOI: 10.1016/J.Ccr.2016.10.010 |
0.436 |
|
| 2016 |
Ai P, Mauro M, Gourlaouen C, Carrara S, De Cola L, Tobon Y, Giovanella U, Botta C, Danopoulos AA, Braunstein P. Bonding, Luminescence, Metallophilicity in Linear Au3 and Au2Ag Chains Stabilized by Rigid Diphosphanyl NHC Ligands. Inorganic Chemistry. PMID 27494635 DOI: 10.1021/Acs.Inorgchem.6B01095 |
0.4 |
|
| 2016 |
Fliedel C, Rosa V, Vileno B, Parizel N, Choua S, Gourlaouen C, Rosa P, Turek P, Braunstein P. Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies. Inorganic Chemistry. PMID 27054464 DOI: 10.1021/Acs.Inorgchem.5B02889 |
0.363 |
|
| 2016 |
Vela S, Gourlaouen C, Fumanal M, Ribas-Arino J. Disclosing the Ligand- and Solvent-Induced Changes on the Spin Transition and Optical Properties of Fe(II)-Indazolylpyridine Complexes Magnetochemistry. 2: 6. DOI: 10.3390/Magnetochemistry2010006 |
0.317 |
|
| 2016 |
Schnee G, Bolley A, Gourlaouen C, Welter R, Dagorne S. Synthesis and structural characterization of NHC-stabilized Al(III) and Ga(III) alkyl cations and use in the ring-opening polymerization of lactide Journal of Organometallic Chemistry. 820: 8-13. DOI: 10.1016/J.Jorganchem.2016.07.019 |
0.325 |
|
| 2016 |
Monnereau L, Sémeril D, Matt D, Gourlaouen C. Catalytic Behaviour of Calixarenylphosphanes in Nickel-Catalysed Suzuki-Miyaura Cross-Coupling European Journal of Inorganic Chemistry. 2017: 581-586. DOI: 10.1002/Ejic.201601351 |
0.308 |
|
| 2015 |
Gourlaouen C, Eng J, Otsuka M, Gindensperger E, Daniel C. Quantum Chemical Interpretation of Ultrafast Luminescence Decay and Intersystem Crossings in Rhenium(I) Carbonyl Bipyridine Complexes. Journal of Chemical Theory and Computation. 11: 99-110. PMID 26574208 DOI: 10.1021/Ct500846N |
0.352 |
|
| 2015 |
Teci M, Brenner E, Matt D, Gourlaouen C, Toupet L. "Hummingbird" Behaviour of N-Heterocyclic Carbenes Stabilises Out-of-Plane Bonding of AuCl and CuCl Units. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26130507 DOI: 10.1002/Chem.201500840 |
0.358 |
|
| 2015 |
Teci M, Brenner E, Matt D, Gourlaouen C, Toupet L. N-Alkylfluorenyl-substituted N-heterocyclic carbenes as bimodal pincers. Dalton Transactions (Cambridge, England : 2003). 44: 9260-8. PMID 25910037 DOI: 10.1039/C5Dt00980D |
0.405 |
|
| 2015 |
Eng J, Gourlaouen C, Gindensperger E, Daniel C. Spin-vibronic quantum dynamics for ultrafast excited-state processes. Accounts of Chemical Research. 48: 809-17. PMID 25647179 DOI: 10.1021/Ar500369R |
0.391 |
|
| 2014 |
Zhang S, Pattacini R, Braunstein P, De Cola L, Plummer E, Mauro M, Gourlaouen C, Daniel C. Synthesis, structure, and optical properties of Pt(II) and Pd(II) complexes with oxazolyl- and pyridyl-functionalized DPPM-type ligands: a combined experimental and theoretical study. Inorganic Chemistry. 53: 12739-56. PMID 25420195 DOI: 10.1021/Ic501566U |
0.317 |
|
| 2014 |
Marjolin A, Gourlaouen C, Clavaguéra C, Ren PY, Piquemal JP, Dognon JP. Hydration Gibbs free energies of open and closed shell trivalent lanthanide and actinide cations from polarizable molecular dynamics. Journal of Molecular Modeling. 20: 2471. PMID 25296890 DOI: 10.1007/S00894-014-2471-6 |
0.746 |
|
| 2014 |
Véry T, Ambrosek D, Otsuka M, Gourlaouen C, Assfeld X, Monari A, Daniel C. Photophysical properties of ruthenium(II) polypyridyl DNA intercalators: effects of the molecular surroundings investigated by theory. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 12901-9. PMID 25145959 DOI: 10.1002/Chem.201402963 |
0.376 |
|
| 2014 |
Gourlaouen C, Daniel C. Spin-orbit effects in square-planar Pt(II) complexes with bidentate and terdentate ligands: theoretical absorption/emission spectroscopy. Dalton Transactions (Cambridge, England : 2003). 43: 17806-19. PMID 25135755 DOI: 10.1039/C4Dt01822B |
0.371 |
|
| 2014 |
Teci M, Brenner E, Matt D, Gourlaouen C, Toupet L. Directional properties of fluorenylidene moieties in unsymmetrically substituted N-heterocyclic carbenes. Unexpected CH activation of a methylfluorenyl group with palladium. Use in palladium catalysed Suzuki-Miyaura cross coupling of aryl chlorides. Dalton Transactions (Cambridge, England : 2003). 43: 12251-62. PMID 24927082 DOI: 10.1039/C4Dt01102C |
0.366 |
|
| 2014 |
Finck S, Issenhuth JT, Despax S, Sirlin C, Pfeffer M, Poidevin C, Gourlaouen C, Boeglin A, Daniel C. Structural and optical properties of new cyclometalated Ru(II) derived compounds Journal of Organometallic Chemistry. 760: 248-259. DOI: 10.1016/J.Jorganchem.2013.08.032 |
0.414 |
|
| 2013 |
Atsumi M, Lindh R, González L, Gourlaouen C, Daniel C. Ab initio and DFT analysis of the low-lying electronic states of metal dihalides: quantum chemical calculations on the neutral BrMCl (M = Cu, Ag, Au). Physical Chemistry Chemical Physics : Pccp. 15: 10151-7. PMID 23632776 DOI: 10.1039/C3Cp51150B |
0.385 |
|
| 2013 |
Gourlaouen C, Clavaguéra C, Marjolin A, Piquemal JP, Dognon JP. Understanding the structure and electronic properties of Th 4+-water complexes Canadian Journal of Chemistry. 91: 821-831. DOI: 10.1139/Cjc-2012-0546 |
0.723 |
|
| 2013 |
Hild F, Neehaul N, Bier F, Wirsum M, Gourlaouen C, Dagorne S. Synthesis and structural characterization of various N,O,N-chelated aluminum and gallium complexes for the efficient ROP of cyclic esters and carbonates: How do aluminum and gallium derivatives compare ? Organometallics. 32: 587-598. DOI: 10.1021/Om3011068 |
0.311 |
|
| 2013 |
Marjolin A, Gourlaouen C, Clavaguéra C, Dognon JP, Piquemal JP. Towards energy decomposition analysis for open and closed shell f-elements mono aqua complexes Chemical Physics Letters. 563: 25-29. DOI: 10.1016/J.Cplett.2013.01.066 |
0.743 |
|
| 2012 |
Monakhov KY, Gourlaouen C, Pattacini R, Braunstein P. Heptabismuthate [Bi7I24]3–: a main group element anderson-type structure and its relationships with the polyoxometalates. Inorganic Chemistry. 51: 1562-8. PMID 22229888 DOI: 10.1021/Ic201859C |
0.402 |
|
| 2012 |
Monakhov KY, Gourlaouen C. On the insertion of ML 2 (M = Ni, Pd, Pt; L = PH 3) into the E-Bi bond (E = C, Si, Ge, Sn, Pb) of a bicyclo[1.1.1]pentane motif: A case for a carbenoid-stabilized Bi(0) species? Organometallics. 31: 4415-4428. DOI: 10.1021/Om300180E |
0.387 |
|
| 2012 |
Marjolin A, Gourlaouen C, Clavaguéra C, Ren PY, Wu JC, Gresh N, Dognon JP, Piquemal JP. Toward accurate solvation dynamics of lanthanides and actinides in water using polarizable force fields: From gas-phase energetics to hydration free energies Theoretical Chemistry Accounts. 131: 1-14. DOI: 10.1007/S00214-012-1198-7 |
0.742 |
|
| 2012 |
Gourlaouen C, Braga AAC, Ujaque G, Maseras F. Homogeneous computational catalysis: The mechanism for cross-coupling and other C-C bond formation processes Nato Science For Peace and Security Series B: Physics and Biophysics. 185-206. DOI: 10.1007/978-94-007-5548-2-11 |
0.436 |
|
| 2011 |
Gourlaouen C, Parisel O, Gérard H. Revisiting the holo- and hemidirected structural transition within the [Pb(CO)n]2+ model series using first-principles molecular dynamics. Dalton Transactions (Cambridge, England : 2003). 40: 11282-8. PMID 21952712 DOI: 10.1039/C1Dt10604J |
0.666 |
|
| 2011 |
Besora M, Gourlaouen C, Yates B, Maseras F. Phosphine and solvent effects on oxidative addition of CH3Br to Pd(PR3) and Pd(PR3)2 complexes. Dalton Transactions (Cambridge, England : 2003). 40: 11089-94. PMID 21860869 DOI: 10.1039/C1Dt10983A |
0.507 |
|
| 2010 |
Gourlaouen C, Parisel O, Piquemal JP. Importance of backdonation in [M-(CO)]p+ complexes isoelectronic to [Au-(CO)]+. The Journal of Chemical Physics. 133: 124310. PMID 20886935 DOI: 10.1063/1.3491266 |
0.702 |
|
| 2010 |
van Severen MC, Gourlaouen C, Parisel O. Application of the topological analysis of the electronic localization function to archetypical [Pb(II)Ln]p complexes: the bonding of Pb2+ revisited. Journal of Computational Chemistry. 31: 185-94. PMID 19421998 DOI: 10.1002/Jcc.21309 |
0.775 |
|
| 2010 |
Gourlaouen C, Parisel O, Piquemal J. Erratum: “Importance of BackDonation in [M-(CO)]p+ complexes isoelectronic to [Au-(CO)]+” [J. Chem. Phys. 133, 124310 (2010)] The Journal of Chemical Physics. 133: 219901. DOI: 10.1063/1.3507917 |
0.63 |
|
| 2009 |
Gourlaouen C, Ujaque G, Lledós A, Medio-Simon M, Asensio G, Maseras F. Why is the Suzuki-Miyaura cross-coupling of sp3 carbons in alpha-bromo sulfoxide systems fast and stereoselective? A DFT study on the mechanism. The Journal of Organic Chemistry. 74: 4049-54. PMID 19405505 DOI: 10.1021/Jo900178C |
0.545 |
|
| 2009 |
Gourlaouen C, Marion N, Nolan SP, Maseras F. Mechanism of the [(NHC)Au(I)]-catalyzed rearrangement of allylic acetates. A DFT study. Organic Letters. 11: 81-4. PMID 19053735 DOI: 10.1021/Ol802430M |
0.544 |
|
| 2009 |
Gourlaouen C, Parisel O, Piquemal JP. Trends in ns2 np0 [M(CO)]q+ complexes: From germanium to element 114 (Uuq) Chemical Physics Letters. 469: 38-42. DOI: 10.1016/J.Cplett.2008.12.040 |
0.707 |
|
| 2008 |
Gourlaouen C, Gérard H, Piquemal JP, Parisel O. Understanding lead chemistry from topological insights: the transition between holo- and hemidirected structures within the [Pb(CO)n]2+ model series. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 2730-43. PMID 18232031 DOI: 10.1002/Chem.200701265 |
0.702 |
|
| 2008 |
Ozdemir I, Demir S, Cetinkaya B, Gourlaouen C, Maseras F, Bruneau C, Dixneuf PH. Direct arylation of arene C-H bonds by cooperative action of NHcarbene-ruthenium(II) catalyst and carbonate via proton abstraction mechanism. Journal of the American Chemical Society. 130: 1156-7. PMID 18183987 DOI: 10.1021/Ja710276X |
0.534 |
|
| 2008 |
Piquemal JP, Pilmé J, Parisel O, Gérard H, Fourré I, Bergés J, Gourlaouen C, De La Lande A, Van Severen MC, Silvi B. What can be learnt on biologically relevant systems from the topological analysis of the electron localization function? International Journal of Quantum Chemistry. 108: 1951-1969. DOI: 10.1002/Qua.21711 |
0.728 |
|
| 2008 |
Gourlaouen C, Parisel O. Competitive coordination between lead and oligoelements with respect to some therapeutic heavy metal chelators International Journal of Quantum Chemistry. 108: 1888-1897. DOI: 10.1002/Qua.21680 |
0.663 |
|
| 2007 |
Gourlaouen C, Parisel O. Is an electronic shield at the molecular origin of lead poisoning? A computational modeling experiment. Angewandte Chemie (International Ed. in English). 46: 553-6. PMID 17152108 DOI: 10.1002/Anie.200603037 |
0.636 |
|
| 2006 |
Gourlaouen C, Piquemal JP, Parisel O. [Pb(H2O)]2+ and [Pb(OH)]+: four-component density functional theory calculations, correlated scalar relativistic constrained-space orbital variation energy decompositions, and topological analysis. The Journal of Chemical Physics. 124: 174311. PMID 16689575 DOI: 10.1063/1.2186994 |
0.694 |
|
| 2006 |
Gourlaouen C, Gérard H, Parisel O. Exploring the hydration of Pb2+: ab initio studies and first-principles molecular dynamics. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 5024-32. PMID 16642524 DOI: 10.1002/Chem.200600045 |
0.671 |
|
| 2006 |
Gourlaouen C, Piquemal JP, Saue T, Parisel O. Revisiting the geometry of nd10 (n+1)s0 [M(H2O)]p+ complexes using four-component relativistic DFT calculations and scalar relativistic correlated CSOV energy decompositions (M(p+) = Cu+, Zn2+, Ag+, Cd2+, Au+, Hg2+). Journal of Computational Chemistry. 27: 142-56. PMID 16312018 DOI: 10.1002/Jcc.20329 |
0.724 |
|
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