H. Rabaâ

发表

Interaction between a σ bond and a dn MLn fragment: an MO analysis of the MnSiH three-center interaction in CpMnL2HSiR3 complexes

U. Schubert, H. Rabaâ, J. Saillard, 1987 .

Carbonhydrogen versus carbonheteroatom activation by a high-valent zirconium-imido complex

T. Cundari, H. Rabaâ, Aaron W. Pierpont, 2006 .

Organometallic chemistry in the interstellar medium. I : Are organometallic reactions efficient processes in astrochemistry ?

I. Ristorcelli, A. Klotz, G. Serra, 1992 .

Theoretical study on six-fold coordinated silicon in silicophosphate compounds

H. Rabaâ, Fatima Bkiri, 2006 .

Experimental and theoretical study of organic corrosion inhibitors on iron in acidic medium

H. Rabaâ, J. Saillard, A. Bachir, 1998 .

Addition and elimination reactions of H2 in ruthenaborane clusters: A computational study

D. Sundholm, H. Rabaâ, J. Saillard, 2014 .

Modeling interactions between trypanothione and antimony‐oxide clusters

D. Sundholm, H. Rabaâ, A. Grafov, 2022, International Journal of Quantum Chemistry.

Theoretical study of weak CC double bond coordination in a gold (I) catalyst precursor

B. Engels, M. Omary, A. Hashmi, 2010 .

Theoretical study of the reaction of alkynes with furan catalyzed by AuCl3 and AuCl

B. Engels, A. Hashmi, H. Rabaâ, 2007 .

Hydrogen-hydrogen and carbon-hydrogen activation reactions at d0 metal centers

R. Hoffmann, H. Rabaâ, J. Saillard, 1986 .

Predicting Stable Molecular Structures for (RNC)2 AuI X Complexes

D. Sundholm, A. Balch, H. Rabaâ, 2019, Zeitschrift für anorganische und allgemeine Chemie.

Combined tight-binding/DFT investigation of the electronic structure of triimine-platinum(II)/TCNQ extended stacks

T. Cundari, M. Omary, H. Rabaâ, 2009 .

Gold Catalysis: Biarylphosphine Ligands as Key for the Synthesis of Dihydroisocoumarins

F. Rominger, A. Hashmi, H. Rabaâ, 2014 .

Binary Donor-Acceptor Adducts of Tetrathiafulvalene Donors with Cyclic Trimetallic Monovalent Coinage Metal Acceptors.

V. Nesterov, R. Galassi, A. Macchioni, 2019, Inorganic chemistry.

Synthesis, spectroscopic properties, and photoconductivity of black absorbers consisting of pt(bipyridine)(dithiolate) charge transfer complexes in the presence and absence of nitrofluorenone acceptors.

Roy N. McDougald, Fang-Ling Kuo, N. Shepherd, 2014, Journal of the American Chemical Society.

Computational studies of the corrosion‐inhibition efficiency of iron by triazole surfactants

D. Sundholm, H. Rabaâ, N. Hajjaji, 2013 .

Computational studies of the electronic absorption spectrum of [(2,2';6',2″-terpyridine)-Pt(II)-OH] [7,7,8,8-tetracyanoquinodimethane] complex.

D. Sundholm, H. Rabaâ, Stefan Taubert, 2013, The journal of physical chemistry. A.

Insights into Molecular Structures and Optical Properties of Stacked [Au3(RN═CR')3]n Complexes.

D. Sundholm, M. Omary, H. Rabaâ, 2018, Inorganic chemistry.

Molecular and electronic structure of cyclic trinuclear gold(I) carbeniate complexes: insights for structure/luminescence/conductivity relationships.

Roy N. McDougald, B. Gnade, H. Jia, 2014, Inorganic chemistry.

Complexation of polyaromatics by C5H5Fe+ and C5Me5Fe+ and electronic structures of the monoreduced complexes

N. Ardoin, D. Astruc, H. Rabaâ, 1989 .

Disproportionation of Gold(II) complexes. A density functional study of ligand and solvent effects.

T. Cundari, M. Omary, H. Rabaâ, 2006, The journal of physical chemistry. B.

Can high-hydride content hypoelectronic rhenaborane clusters take up dihydrogen? A theoretical study

H. Rabaâ, J. Saillard, Sundargopal Ghosh, 2012 .

Halo- and alkyl(pentamethylcyclopentadienyl)[1,2-bis(diphenylphosphino)ethane]iron(III) 17-electron complexes: synthesis, NMR and magnetic properties and EHMO calculations

Jean-Yves Saillard, Loïc Toupet, Christophe Roger, 1991 .

Electronic Interplay between Two Iron Centers across Polyaromatic Ligands: Syntheses, Redox Chemistry, and Electronic Structures of the Electron-Reservoir 36- to 38-Electron Complexes [(FeCp*)2(.mu.2-.eta.12-polyaromatic)]q+ (q = 0-2) Including Mixed Valences and Biradicals

N. Ardoin, D. Astruc, J. Ruiz, 1995 .

Binuclear electron reservoir complexes. Synthesis, stabilization and electronic structures of the 36- and 37-electron complexes [[Fe(C5R5)]2(.mu.2,.eta.n-C10H8)]m+ (R = H, Me): from biphenyl (m = 1 and 2, n = 12) to bicyclohexadienylidene (m = 0, n = 10)

N. Ardoin, D. Astruc, F. Varret, 1990 .

A Theoretical Investigation of Bonding and Electron Counting in Compounds Structurally Related to Ti5Te4

S. Députier, H. Rabaâ, J. Saillard, 2000 .

Periodic and Molecular Modeling Study of Donor−Acceptor Interactions in (dbbpy)Pt(tdt)·TENF and [Pt(dbbpy)(tdt)]2·TENF

T. Cundari, C. Minot, M. Omary, 2010 .

Molecular DFT structure and packing effect of thiodipropionic and dithiodiglycolic acids and salts

T. Cundari, M. Omary, H. Rabaâ, 2009 .

Water adsorption on ZnO(1010): from single molecules to partially dissociated monolayers.

D. Marx, B. Meyer, H. Rabaâ, 2006, Physical chemistry chemical physics : PCCP.

Computational studies of a paramagnetic planar dibenzotetraaza[14]annulene Ni(II) complex.

D. Sundholm, M. Olmstead, H. Rabaâ, 2015, The journal of physical chemistry. A.

A theoretical study of M-M' polar-covalent bonding in heterobimetallic multinuclear organometallic complexes of monovalent group 10 metal centres.

D. Sundholm, M. Omary, H. Rabaâ, 2023, Physical chemistry chemical physics : PCCP.

17- and 19-electron complexes [FeIII(η5-C5R5)(S 2CNMe5)L]n+ (n = 1, 0): Electronic structure and substitution and redox chemistry. Formation of [FeIV(η5-C5R5)(dtc)2] and characterization of both 17e and 19e states of a transition-metal complex

R. Culp, D. Astruc, J. Linares, 1996 .

Electronic and Structural Effects of Nitrogen Doping on the Ionic Conductivity of γ-Li3PO4

R. Hoffmann, H. Rabaâ, 1999 .

Theoretical Approach to Ionic Conductivity in PhosphorusOxynitride Compounds

R. Hoffmann, J. Sanz, H. Rabaâ, 2001 .

Metal-Free Heterogeneous Asymmetric Hydrogenation of Olefins Promoted by Chiral Frustrated Lewis Pair Framework.

T. Alshahrani, H. Rabaâ, Shengqian Ma, 2023, Journal of the American Chemical Society.

Molecular and electronic structure of cyclic trinuclear gold(I) carbeniate complexes: insights for structure/luminescence/conductivity relationships.

B. Gnade, H. Jia, V. Nesterov, 2014, Inorganic chemistry.