| Year |
Citation |
Score |
| 2023 |
Kong L, Chou Y, Albalat M, Jean M, Vanthuyne N, Humbel S, Nava P, Clavier H. -Symmetric atropisomeric N-heterocyclic carbene-palladium(II) complexes: synthesis, chiral resolution, and application in the enantioselective α-arylation of amides. Dalton Transactions (Cambridge, England : 2003). PMID 37313746 DOI: 10.1039/d3dt01182h |
0.52 |
|
| 2023 |
Morvan J, Bouëtard D, Kong L, Chou Y, Vives T, Albalat M, Roisnel T, Crévisy C, Nava P, Humbel S, Vanthuyne N, Clavier H, Mauduit M. Chiral Atropisomeric-NHC Catechodithiolate Ruthenium Complexes for Z-Selective Asymmetric Ring-Opening Cross Metathesis of Exo-Norbornenes. Chemistry (Weinheim An Der Bergstrasse, Germany). e202300341. PMID 36883308 DOI: 10.1002/chem.202300341 |
0.513 |
|
| 2022 |
Chaussy L, Hagebaum-Reignier D, Humbel S, Nava P. Accurate computed singlet-triplet energy differences for cobalt systems: implication for two-state reactivity. Physical Chemistry Chemical Physics : Pccp. 24: 21841-21852. PMID 36065755 DOI: 10.1039/d2cp03291k |
0.588 |
|
| 2021 |
Savchuk M, Bocquin L, Albalat M, Jean M, Vanthuyne N, Nava P, Humbel S, Hérault D, Clavier H. Transition metal complexes bearing atropisomeric saturated NHC ligands. Chirality. PMID 34740283 DOI: 10.1002/chir.23378 |
0.55 |
|
| 2020 |
Khatmi DE, Bezzina B, Humbel S. Binding kinetics calculations of the inclusion of some benzoic acid derivatives and paracetamol in β CD Journal of Inclusion Phenomena and Macrocyclic Chemistry. 96: 373-379. DOI: 10.1007/S10847-020-00976-1 |
0.347 |
|
| 2019 |
Kong L, Morvan J, Pichon D, Jean M, Albalat M, Vives T, Colombel-Rouen S, Giorgi M, Dorcet V, Roisnel T, Crévisy C, Nuel D, Nava P, Humbel S, Vanthuyne N, et al. From Prochiral N-Heterocyclic Carbenes (NHCs) to Optically Pure Metal Complexes: New Opportunities in Asymmetric Catalysis. Journal of the American Chemical Society. PMID 31846302 DOI: 10.1021/Jacs.9B12698 |
0.574 |
|
| 2018 |
Bezzina B, Djémil R, Khatmi De, Humbel S, Carissan Y. Computational insights about the dynamic behavior for the inclusion process of deprotonated and neutral aspirin in β-cyclodextrin Journal of Inclusion Phenomena and Macrocyclic Chemistry. 92: 115-127. DOI: 10.1007/S10847-018-0822-0 |
0.367 |
|
| 2017 |
Racine J, Touadjine MA, Rahmouni A, Humbel S. Methylenecyclopropene: local vision of the first (1)B2 excited state. Journal of Molecular Modeling. 23: 22. PMID 28064374 DOI: 10.1007/S00894-016-3191-X |
0.768 |
|
| 2017 |
Racine J, Carissan Y, Hagebaum-Reignier D, Humbel S. A generalized Brillouin theorem (GBT)-like implementation to optimize Valence Bond wave function for excited states Computational and Theoretical Chemistry. 1116: 184-189. DOI: 10.1016/J.Comptc.2017.01.019 |
0.766 |
|
| 2017 |
Touadjine AM, Mostefai A, Rahmouni A, Humbel S, Krallafa A. A theoretical study of atropisomerism in N-(2-methylphenyl)-N′-(2-methylphenyl) thiourea and its inclusion in the β-cyclodextrin Journal of Inclusion Phenomena and Macrocyclic Chemistry. 88: 199-207. DOI: 10.1007/S10847-017-0719-3 |
0.321 |
|
| 2016 |
Racine J, Hagebaum-Reignier D, Carissan Y, Humbel S. Recasting wave functions into valence bond structures: A simple projection method to describe excited states. Journal of Computational Chemistry. PMID 26786547 DOI: 10.1002/Jcc.24267 |
0.762 |
|
| 2016 |
Nava P, Clavier H, Gimbert Y, Giordano L, Buono G, Humbel S. Corrigendum: Chemodivergent Palladium-Catalyzed Processes: Role of Versatile Ligands Chemcatchem. 8: 471-471. DOI: 10.1002/Cctc.201501320 |
0.541 |
|
| 2015 |
Nava P, Clavier H, Gimbert Y, Giordano L, Buono G, Humbel S. Inside Cover: Chemodivergent Palladium-Catalyzed Processes: Role of Versatile Ligands (ChemCatChem 23/2015) Chemcatchem. 7: 3791-3791. DOI: 10.1002/Cctc.201501186 |
0.544 |
|
| 2015 |
Nava P, Clavier H, Gimbert Y, Giordano L, Buono G, Humbel S. Chemodivergent Palladium-Catalyzed Processes: Role of Versatile Ligands Chemcatchem. 7: 3848-3854. DOI: 10.1002/Cctc.201500809 |
0.596 |
|
| 2014 |
Racine J, Humbel S. Large hyperconjugation in strained systems. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 12601-6. PMID 25146966 DOI: 10.1002/Chem.201403582 |
0.761 |
|
| 2014 |
Nava P, Carissan Y, Drujon J, Grau F, Godeau J, Antoniotti S, Duñach E, Humbel S. Inside Back Cover: On the Catalysis of the Cycloisomerization of 1,6-Dienes with Tin(IV) Salts: The Important Role of a Water Molecule (ChemCatChem 2/2014) Chemcatchem. 6: 663-663. DOI: 10.1002/Cctc.201490012 |
0.53 |
|
| 2014 |
Nava P, Carissan Y, Drujon J, Grau F, Godeau J, Antoniotti S, Duñach E, Humbel S. On the catalysis of the cycloisomerization of 1,6-dienes with tin(IV) salts: The important role of a water molecule Chemcatchem. 6: 500-507. DOI: 10.1002/Cctc.201300952 |
0.605 |
|
| 2013 |
Alamiddine Z, Humbel S. Hyperconjugation in Carbocations, a BLW Study with DFT approximation. Frontiers in Chemistry. 1: 37. PMID 24790968 DOI: 10.3389/Fchem.2013.00037 |
0.336 |
|
| 2012 |
Braïda B, Derat E, Humbel S, Hiberty PC, Shaik S. The valence bond workshop in Paris: the phoenix rises from the ashes or, has a love story with MO-based theories begun? Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 4029-30. PMID 23055334 DOI: 10.1002/Cphc.201200784 |
0.761 |
|
| 2012 |
Barrère C, Chendo C, Phan TN, Monnier V, Trimaille T, Humbel S, Viel S, Gigmes D, Charles L. Successful MALDI-MS analysis of synthetic polymers with labile end-groups: the case of nitroxide-mediated polymerization using the MAMA-SG1 alkoxyamine. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 7916-24. PMID 22573602 DOI: 10.1002/Chem.201200239 |
0.315 |
|
| 2012 |
Nava P, Hagebaum-Reignier D, Humbel S. Bonding of gold with unsaturated species. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 2090-6. PMID 22505277 DOI: 10.1002/Cphc.201101065 |
0.64 |
|
| 2011 |
Karanik M, Lesage D, Gimbert Y, Nava P, Humbel S, Giordano L, Buono G, Tabet JC. Do platinum(II) and palladium(II) phosphinito phosphinous acids generate the same type of reactive intermediate in alkyne coordination? A gas-phase study with phenylethyne and propargyl acetate Organometallics. 30: 4814-4821. DOI: 10.1021/Om200234C |
0.581 |
|
| 2010 |
Vece V, Ricci J, Poulain-Martini S, Nava P, Carissan Y, Humbel S, Duñach E. InIII-catalysed tandem C-C and C-O bond formation between phenols and allylic acetates European Journal of Organic Chemistry. 6239-6248. DOI: 10.1002/Ejoc.201000738 |
0.575 |
|
| 2009 |
Nava P, Carissan Y, Humbel S. Labile ligands on some Lewis super acids: a computational study. Physical Chemistry Chemical Physics : Pccp. 11: 7130-6. PMID 19672521 DOI: 10.1039/B907229B |
0.599 |
|
| 2009 |
Thota R, Lesage D, Gimbert Y, Giordano L, Humbel S, Milet A, Buono G, Tabet JC. Gas-phase study of phenylacetylene and norbornadiene on a palladium(II) phosphinous acid complex: Importance of the order of introduction of the organic partners Organometallics. 28: 2735-2743. DOI: 10.1021/Om801197N |
0.301 |
|
| 2009 |
Benchabane Y, Boyer G, Humbel S, Alkorta I, Elguero J. A theoretical and NMR experimental study of N1,N3-di(3-aminoacridin-6-yl)-isophthalamide and N2,N6-di(3-aminoacridin-6-yl)-2,6-dicarboxamide Journal of Molecular Structure. 928: 132-137. DOI: 10.1016/J.Molstruc.2009.03.028 |
0.34 |
|
| 2008 |
Linares M, Humbel S, Braïda B. The nature of resonance in allyl ions and radical. The Journal of Physical Chemistry. A. 112: 13249-55. PMID 18989946 DOI: 10.1021/Jp8038169 |
0.763 |
|
| 2008 |
Tintaru A, Benchabane Y, Boyer G, Humbel S, Charles L. Differentiation of heterocyclic regioisomers: a combined tandem mass spectrometry and computational study of N-acridin-4-ylbenzylamide and N-acridin-2-yl-benzylamide. Rapid Communications in Mass Spectrometry : Rcm. 22: 687-93. PMID 18265432 DOI: 10.1002/Rcm.3401 |
0.307 |
|
| 2007 |
Linares M, Braida B, Humbel S. Valence bond approach of metal-ligand bonding in the Dewar-Chatt-Duncanson model. Inorganic Chemistry. 46: 11390-6. PMID 18044956 DOI: 10.1021/Ic701434E |
0.743 |
|
| 2007 |
Linares M, Humbel S, Braïda B. Quantifying resonance through a Lewis valence bond approach: application to haloallyl and carbonyl cations. Faraday Discussions. 135: 273-83; discussion 3. PMID 17328433 DOI: 10.1039/B605325D |
0.723 |
|
| 2007 |
Humbel S. Getting the weights of Lewis structures out of Hückel theory: Hückel-Lewis configuration interaction (HL-CI) Journal of Chemical Education. 84: 1056-1061. DOI: 10.1021/Ed084P1056 |
0.316 |
|
| 2007 |
Hagebaum-Reignier D, Girardi R, Carissan Y, Humbel S. Hückel theory for Lewis structures: Hückel-Lewis Configuration Interaction (HL-CI) Journal of Molecular Structure: Theochem. 817: 99-109. DOI: 10.1016/J.Theochem.2007.04.026 |
0.306 |
|
| 2006 |
Linares M, Braïda B, Humbel S. Lewis-based valence bond scheme: application to the allyl cation. The Journal of Physical Chemistry. A. 110: 2505-9. PMID 16480311 DOI: 10.1021/Jp056090H |
0.767 |
|
| 2006 |
Derat E, Bouquant J, Bertus P, Szymoniak J, Humbel S. Reactivity of dialkylzirconium species and solvent polarity International Journal of Quantum Chemistry. 106: 704-711. DOI: 10.1002/Qua.20834 |
0.622 |
|
| 2004 |
Derat E, Bouquant J, Bertus P, Szymoniak J, Humbel S. Hydrometalation or condensation in the reaction of Cl2ZrEt 2 with H2CO. A theoretical account Organometallics. 23: 2892-2899. DOI: 10.1021/Om0499512 |
0.633 |
|
| 2003 |
Humbel S, Bertrand C, Darcel C, Bauduin C, Jugé S. Configurational stability of chlorophosphines. Inorganic Chemistry. 42: 420-7. PMID 12693223 DOI: 10.1021/Ic026128U |
0.367 |
|
| 2003 |
Derat E, Bouquant J, Humbel S. On the link atom distance in the ONIOM scheme. An harmonic approximation analysis Journal of Molecular Structure: Theochem. 632: 61-69. DOI: 10.1016/S0166-1280(03)00288-4 |
0.594 |
|
| 2003 |
Bouquillon S, Humbel S, Létinois-Halbes U, Hénin F, Muzart J. trans-Bis-[(-)ephedrinate]-palladiumII complex: Synthesis, molecular modeling and use as catalyst Journal of Organometallic Chemistry. 687: 377-383. DOI: 10.1016/J.Jorganchem.2003.08.015 |
0.357 |
|
| 2002 |
Humbel S. Short strong hydrogen bonds: A valence bond analysis Journal of Physical Chemistry A. 106: 5517-5520. DOI: 10.1021/Jp0202789 |
0.415 |
|
| 2002 |
Derat E, Bouquant J, Bertus P, Szymoniak J, Humbel S. Specific solvent effect on R2ZrCl2 (R = butyl, ethyl) reactivity, a density functional study Journal of Organometallic Chemistry. 664: 268-276. DOI: 10.1016/S0022-328X(02)02020-X |
0.635 |
|
| 2001 |
Rothenberg G, Humbel S, Muzart J. Palladium-catalysed oxidation of alcohols to carbonyl compounds with 1,2-dichloroethane as the primary oxidant: A theoretical study Journal of the Chemical Society, Perkin Transactions 2. 1998-2004. DOI: 10.1039/B102256N |
0.352 |
|
| 2001 |
Bertrand C, Bouquant J, Pete JP, Humbel S. Theoretical description of [2 + 2] photocycloadditions: Enone and ethylene as a model of the reactivity of cycloenones Journal of Molecular Structure: Theochem. 538: 165-177. DOI: 10.1016/S0166-1280(00)00693-X |
0.342 |
|
| 2000 |
Bertrand S, Hoffmann N, Humbel S, Pete JP. Diastereoselective tandem addition-cyclization reactions of unsaturated tertiary amines initiated by photochemical electron transfer (PET). The Journal of Organic Chemistry. 65: 8690-703. PMID 11112591 DOI: 10.1021/Jo001166L |
0.311 |
|
| 2000 |
Bouillon JP, Portella C, Bouquant J, Humbel S. Theoretical study of intramolecular aldol condensation of 1, 6-diketones: trimethylsilyl substituent effect The Journal of Organic Chemistry. 65: 5823-30. PMID 10970329 DOI: 10.1021/Jo005544Y |
0.332 |
|
| 2000 |
Humbel S, Hoffmann N, Cote I, Bouquant J. Substituent effects on two-center three-electron bonds and hydrogen bonds involving unsaturated organic functional groups and an ammonia radical cation--the resonance contribution Chemistry (Weinheim An Der Bergstrasse, Germany). 6: 1592-600. PMID 10839176 DOI: 10.1002/(SICI)1521-3765(20000502)6:9<1592::AID-CHEM1592>3.0.CO;2-W |
0.369 |
|
| 2000 |
Humbel S, Hoffmann N, Côte I, Bouquant J. Substituent effects on two-center three-electron bonds and hydrogen bonds involving unsaturated organic functional groups and an ammonia radical cation - The resonance contribution Chemistry - a European Journal. 6: 1592-1600. |
0.33 |
|
| 1999 |
Humbel S, Côte I, Hoffmann N, Bouquant J. Three-electron binding between carbonyl-like compounds and ammonia radical cation. Comparison with the hydrogen bonded complex Journal of the American Chemical Society. 121: 5507-5512. DOI: 10.1021/Ja990323Z |
0.455 |
|
| 1999 |
Humbel S. Integrated molecular orbital + molecular orbital (IMOMO) treatment of single electron transfer (SET) via a two-center three-electron (2c-3e) bonded complex: Substituted carbonyl-ammonia example Journal of Molecular Structure: Theochem. 461: 153-166. DOI: 10.1016/S0166-1280(98)00426-6 |
0.395 |
|
| 1998 |
Humbel S, Hiberty PC. On the suggestion of a heteronuclear C∴O through-space three-electron bond in tetrahydropyran radical Journal of Molecular Structure: Theochem. 424: 57-65. DOI: 10.1016/S0166-1280(97)00225-X |
0.6 |
|
| 1997 |
Froese RDJ, Humbel S, Svensson M, Morokuma K. IMOMO(G2MS): A New High-Level G2-Like Method for Large Molecules and Its Applications to Diels−Alder Reactions Journal of Physical Chemistry A. 101: 227-233. DOI: 10.1021/Jp963019Q |
0.42 |
|
| 1996 |
Humbel S, Sieber S, Morokuma K. The IMOMO method: Integration of different levels of molecular orbital approximations for geometry optimization of large systems: Test for n‐butane conformation and SN2 reaction: RCl+Cl− The Journal of Chemical Physics. 105: 1959-1967. DOI: 10.1063/1.472065 |
0.496 |
|
| 1996 |
Svensson M, Humbel S, Froese RDJ, Matsubara T, Sieber S, Morokuma K. ONIOM: A Multilayered Integrated MO + MM Method for Geometry Optimizations and Single Point Energy Predictions. A Test for Diels−Alder Reactions and Pt(P(t-Bu)3)2+ H2Oxidative Addition The Journal of Physical Chemistry. 100: 19357-19363. DOI: 10.1021/Jp962071J |
0.458 |
|
| 1995 |
Hiberty PC, Humbel S, Danovich D, Shaik S. What Is Physically Wrong with the Description of Odd-Electron Bonding by Hartree-Fock Theory? A Simple Nonempirical Remedy Journal of the American Chemical Society. 117: 9003-9011. DOI: 10.1021/Ja00140A017 |
0.659 |
|
| 1995 |
Humbel S, Demachy I, Hiberty PC. HO∴OH-: a model for stable three-electron bonded peroxide radical anions Chemical Physics Letters. 247: 126-134. DOI: 10.1016/0009-2614(95)01171-7 |
0.56 |
|
| 1995 |
Hiberty PC, Humbel S, Danovich D, Shaik S. What is physically wrong with the description of odd-electron bonding by Hartree-Fock theory? A simple nonempirical remedy Journal of the American Chemical Society. 117: 9003-9011. |
0.563 |
|
| 1994 |
Hiberty PC, Humbel S, Byrman CP, Van Lenthe JH. Compact valence bond functions with breathing orbitals: Application to the bond dissociation energies of F2 and FH The Journal of Chemical Physics. 101: 5969-5976. DOI: 10.1063/1.468459 |
0.658 |
|
| 1994 |
Hiberty PC, Humbel S, Archirel P. Nature of the differential electron correlation in three-electron bond dissociations. Efficiency of a simple two-configuration valence bond method with breathing orbitals Journal of Physical Chemistry®. 98: 11697-11704. DOI: 10.1021/J100096A012 |
0.618 |
|
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